2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide

C24H31ClN2O — CID 51361416

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide
SMILESCN(Cc1ccc(Cl)cc1)C(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H31ClN2O/c1-27(18-20-12-15-21(25)16-13-20)23(17-14-19-8-4-2-5-9-19)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,15-16,22-23H,3,6-7,10-11,14,17-18H2,1H3,(H,26,28)
InChIKeyQQUKWQCZAUZWEM-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.22
Rot. Bonds8

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

2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide (PubChem CID 51361416) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide
PubChem CID51361416
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide
SMILESCN(Cc1ccc(Cl)cc1)C(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H31ClN2O/c1-27(18-20-12-15-21(25)16-13-20)23(17-14-19-8-4-2-5-9-19)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,15-16,22-23H,3,6-7,10-11,14,17-18H2,1H3,(H,26,28)
InChIKeyQQUKWQCZAUZWEM-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide (CID 51361416) is 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide is CN(Cc1ccc(Cl)cc1)C(CCc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide?
The InChIKey is QQUKWQCZAUZWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-27(18-20-12-15-21(25)16-13-20)23(17-14-19-8-4-2-5-9-19)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,15-16,22-23H,3,6-7,10-11,14,17-18H2,1H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide has a molecular weight of 398.98 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclohexyl-4-phenylbutanamide is sourced from PubChem (CID 51361416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).