N-(2-methylphenyl)-2-phenylbutanamide

C17H19NO — CID 2904765

IUPACN-(2-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-15(14-10-5-4-6-11-14)17(19)18-16-12-8-7-9-13(16)2/h4-12,15H,3H2,1-2H3,(H,18,19)
InChIKeyGJTPTDHBGMDYSE-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.13
Rot. Bonds4

About N-(2-methylphenyl)-2-phenylbutanamide

N-(2-methylphenyl)-2-phenylbutanamide (PubChem CID 2904765) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-phenylbutanamide
PubChem CID2904765
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(2-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-15(14-10-5-4-6-11-14)17(19)18-16-12-8-7-9-13(16)2/h4-12,15H,3H2,1-2H3,(H,18,19)
InChIKeyGJTPTDHBGMDYSE-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-phenylbutanamide?
The IUPAC name of N-(2-methylphenyl)-2-phenylbutanamide (CID 2904765) is N-(2-methylphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-methylphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccccc1C)c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-2-phenylbutanamide?
The InChIKey is GJTPTDHBGMDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-15(14-10-5-4-6-11-14)17(19)18-16-12-8-7-9-13(16)2/h4-12,15H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-2-phenylbutanamide?
N-(2-methylphenyl)-2-phenylbutanamide has a molecular weight of 253.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2904765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).