4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide

C12H23N3O2 — CID 80542023

IUPAC4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(CCN)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-8(6-7-13)12(17)15-10-4-2-9(3-5-10)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKPGQLEBPRILIIA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.13
Rot. Bonds5

About 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide

4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide (PubChem CID 80542023) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
PubChem CID80542023
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(CCN)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-8(6-7-13)12(17)15-10-4-2-9(3-5-10)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKPGQLEBPRILIIA-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
5-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylpentanamide
CID 104684107
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide (CID 80542023) is 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide is CC(CCN)C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide?
The InChIKey is KPGQLEBPRILIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(6-7-13)12(17)15-10-4-2-9(3-5-10)11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide?
4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 80542023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).