N1, N2-Dipropylethanediamide

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CAS Number

14040-77-8

MDL Number

MFCD00027894

Smiles

CCCNC (=O) C (=O) NCCC

Chemical Information

N,N'-Dipropyloxamide

CAS Number	14040-77-8
PubChem CID	123335
IUPAC Name	N,N'-dipropyloxamide
Molecular Formula	C8H16N2O2
Molecular Weight	172.22
XLogP	1
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	139

SMILES

CCCNC(=O)C(=O)NCCC

InChI

InChI=1S/C8H16N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)

InChIKey

FRZWXXLIRIYHFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14040-77-8

CID: 123335

Formula: C8H16N2O2

MW: 172.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.22
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	172.121177757
Monoisotopic Mass	172.121177757
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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