2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide

C19H29ClN2O — CID 132571850

IUPAC2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(NCc1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H29ClN2O/c1-14(2)12-18(19(23)22-17-6-4-3-5-7-17)21-13-15-8-10-16(20)11-9-15/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,23)
InChIKeyAAIUTEAZNKUUPO-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.29
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide

2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide (PubChem CID 132571850) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide
PubChem CID132571850
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(NCc1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H29ClN2O/c1-14(2)12-18(19(23)22-17-6-4-3-5-7-17)21-13-15-8-10-16(20)11-9-15/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,23)
InChIKeyAAIUTEAZNKUUPO-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide (CID 132571850) is 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide is CC(C)CC(NCc1ccc(Cl)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide?
The InChIKey is AAIUTEAZNKUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-14(2)12-18(19(23)22-17-6-4-3-5-7-17)21-13-15-8-10-16(20)11-9-15/h8-11,14,17-18,21H,3-7,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide?
2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide has a molecular weight of 336.91 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 132571850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).