1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide

C12H19N3O2 — CID 61461650

IUPAC1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-14-10(16)8-15-11(17)12(9-13)6-4-3-5-7-12/h2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXFZVQAQBSWWZFH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds4

About 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 61461650) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID61461650
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-14-10(16)8-15-11(17)12(9-13)6-4-3-5-7-12/h2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXFZVQAQBSWWZFH-UHFFFAOYSA-N
XLogP0.71
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 104920281
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
CID 47438973
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
CID 113488783
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 61461650) is 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide is CCNC(=O)CNC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is XFZVQAQBSWWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-14-10(16)8-15-11(17)12(9-13)6-4-3-5-7-12/h2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61461650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).