N-[(4-methylphenyl)methyl]-2-phenylbutanamide

C18H21NO — CID 2890018

IUPACN-[(4-methylphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-17(16-7-5-4-6-8-16)18(20)19-13-15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeyFNZRAZGXSLEOCO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-phenylbutanamide

N-[(4-methylphenyl)methyl]-2-phenylbutanamide (PubChem CID 2890018) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-phenylbutanamide
PubChem CID2890018
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-17(16-7-5-4-6-8-16)18(20)19-13-15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeyFNZRAZGXSLEOCO-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-methylphenyl)methyl]-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenamid
CID 13728
Melinamide
CID 20054967
N-(Phenylmethyl)hexadecanamide
CID 11198769
AR-M1000390
CID 9841259
F 1459
CID 162185
Myramistin
CID 72949
Desmethyl diphenamid
CID 70381
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
SA-58035
CID 122215
H3 receptor antagonist 1
CID 16119082

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-phenylbutanamide (CID 2890018) is N-[(4-methylphenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The InChIKey is FNZRAZGXSLEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-17(16-7-5-4-6-8-16)18(20)19-13-15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
N-[(4-methylphenyl)methyl]-2-phenylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 2890018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).