1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide

C12H19N3O2 — CID 104920281

IUPAC1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(C)C(=O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H19N3O2/c1-3-15(2)10(16)8-14-11(17)12(9-13)6-4-5-7-12/h3-8H2,1-2H3,(H,14,17)
InChIKeyFEXPJEUYPTYQCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds4

About 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide

1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 104920281) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID104920281
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(C)C(=O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H19N3O2/c1-3-15(2)10(16)8-14-11(17)12(9-13)6-4-5-7-12/h3-8H2,1-2H3,(H,14,17)
InChIKeyFEXPJEUYPTYQCZ-UHFFFAOYSA-N
XLogP0.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-((2R,5S)-2,5-dicyanopyrrolidin-1-yl)-2-oxoethylamino)-N-methylcyclopentanecarboxamide
CID 11666622
1-[(2S)-2-amino-4,4-dimethylhexanoyl]pyrrolidine-2-carbonitrile
CID 67011438
N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 78924342
(2S)-2-amino-N-[(1S)-1-cyano-2-methylpropyl]-N-ethyl-2-(1-ethylcyclopentyl)acetamide
CID 89529222
2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 118669218
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide
CID 118669220
N-(2-amino-2-oxoethyl)-2,2,5,5-tetramethylhexanamide
CID 130266133
N-[2-(dimethylamino)-2-oxoethyl]-2,2,5,5-tetramethylhexanamide
CID 130266290
N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide
CID 130272123
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpentanamide
CID 130272126
2,2,5,5-tetramethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 130272292
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide
CID 140506401

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide (CID 104920281) is 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide is CCN(C)C(=O)CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is FEXPJEUYPTYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(2)10(16)8-14-11(17)12(9-13)6-4-5-7-12/h3-8H2,1-2H3,(H,14,17).
What are the key properties of 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 104920281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).