1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C12H19N3O2 — CID 61461956

IUPAC1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-9(10(16)14-2)15-11(17)12(8-13)6-4-3-5-7-12/h9H,3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHWNJIVVFVQQGNX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds3

About 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 61461956) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID61461956
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-9(10(16)14-2)15-11(17)12(8-13)6-4-3-5-7-12/h9H,3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHWNJIVVFVQQGNX-UHFFFAOYSA-N
XLogP0.71
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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1-amino-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide;hydrochloride
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1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
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N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
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1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
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CID 61459924
1-cyano-N-(1-cyclopentylethyl)cyclobutane-1-carboxamide
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CID 78974832

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 61461956) is 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CNC(=O)C(C)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is HWNJIVVFVQQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(10(16)14-2)15-11(17)12(8-13)6-4-3-5-7-12/h9H,3-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61461956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).