1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide

C17H25N3O2 — CID 119735685

IUPAC1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(C(=O)NC1(C(N)=O)CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-12(14(18)13-8-4-2-5-9-13)15(21)20-17(16(19)22)10-6-3-7-11-17/h2,4-5,8-9,12,14H,3,6-7,10-11,18H2,1H3,(H2,19,22)(H,20,21)
InChIKeyPEONPBRZQSUYCU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.63
Rot. Bonds5

About 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide

1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide (PubChem CID 119735685) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
PubChem CID119735685
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(C(=O)NC1(C(N)=O)CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-12(14(18)13-8-4-2-5-9-13)15(21)20-17(16(19)22)10-6-3-7-11-17/h2,4-5,8-9,12,14H,3,6-7,10-11,18H2,1H3,(H2,19,22)(H,20,21)
InChIKeyPEONPBRZQSUYCU-UHFFFAOYSA-N
XLogP1.63
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119701267
3-amino-2-methyl-N-(1-methylcyclopentyl)-3-phenylpropanamide
CID 80552093
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 122569767
1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445799
3-amino-2-methyl-3-phenyl-N-[(1-propylcyclobutyl)methyl]propanamide;hydrochloride
CID 119821711
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide (CID 119735685) is 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide is CC(C(=O)NC1(C(N)=O)CCCCC1)C(N)c1ccccc1.
What is the InChIKey of 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide?
The InChIKey is PEONPBRZQSUYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(14(18)13-8-4-2-5-9-13)15(21)20-17(16(19)22)10-6-3-7-11-17/h2,4-5,8-9,12,14H,3,6-7,10-11,18H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide?
1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 119735685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).