N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide

C9H16N2O2 — CID 62589868

IUPACN-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
SMILESCCN(CCC#N)C(=O)CCOC
InChIInChI=1S/C9H16N2O2/c1-3-11(7-4-6-10)9(12)5-8-13-2/h3-5,7-8H2,1-2H3
InChIKeyLKVKUIPRWVFULK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.79
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide

N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide (PubChem CID 62589868) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
PubChem CID62589868
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
SMILESCCN(CCC#N)C(=O)CCOC
InChIInChI=1S/C9H16N2O2/c1-3-11(7-4-6-10)9(12)5-8-13-2/h3-5,7-8H2,1-2H3
InChIKeyLKVKUIPRWVFULK-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 63286649
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide
CID 63875978
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
2-cyanoethyl(ethyl)carbamic acid
CID 18786016

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide (CID 62589868) is N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide is CCN(CCC#N)C(=O)CCOC.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide?
The InChIKey is LKVKUIPRWVFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-11(7-4-6-10)9(12)5-8-13-2/h3-5,7-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide?
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 62589868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).