N-(2-cyanoethyl)-N-methylpropanamide

C7H12N2O — CID 21036687

IUPACN-(2-cyanoethyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CCC#N
InChIInChI=1S/C7H12N2O/c1-3-7(10)9(2)6-4-5-8/h3-4,6H2,1-2H3
InChIKeyBDNXNGUDCAMSFK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.77
Rot. Bonds3

About N-(2-cyanoethyl)-N-methylpropanamide

N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 21036687) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methylpropanamide
PubChem CID21036687
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(2-cyanoethyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CCC#N
InChIInChI=1S/C7H12N2O/c1-3-7(10)9(2)6-4-5-8/h3-4,6H2,1-2H3
InChIKeyBDNXNGUDCAMSFK-UHFFFAOYSA-N
XLogP0.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide
CID 64689666
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
CID 81071138
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
2-[[2-cyanoethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43135817

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methylpropanamide (CID 21036687) is N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methylpropanamide is CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is BDNXNGUDCAMSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-7(10)9(2)6-4-5-8/h3-4,6H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methylpropanamide?
N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 140.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 21036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).