2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide

C18H28N2O — CID 3231354

IUPAC2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)C(NC1CCCCC1)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)17(19-15-10-5-4-6-11-15)18(21)20-16-12-8-7-9-14(16)3/h7-9,12-13,15,17,19H,4-6,10-11H2,1-3H3,(H,20,21)
InChIKeyPYVGUUWPKLATOD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.88
Rot. Bonds5

About 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide

2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide (PubChem CID 3231354) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide
PubChem CID3231354
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)C(NC1CCCCC1)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)17(19-15-10-5-4-6-11-15)18(21)20-16-12-8-7-9-14(16)3/h7-9,12-13,15,17,19H,4-6,10-11H2,1-3H3,(H,20,21)
InChIKeyPYVGUUWPKLATOD-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide (CID 3231354) is 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide is Cc1ccccc1NC(=O)C(NC1CCCCC1)C(C)C.
What is the InChIKey of 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide?
The InChIKey is PYVGUUWPKLATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)17(19-15-10-5-4-6-11-15)18(21)20-16-12-8-7-9-14(16)3/h7-9,12-13,15,17,19H,4-6,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide?
2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 3231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).