4-methyl-N-(2-phenylbutyl)benzamide

C18H21NO — CID 52988708

IUPAC4-methyl-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-15(16-7-5-4-6-8-16)13-19-18(20)17-11-9-14(2)10-12-17/h4-12,15H,3,13H2,1-2H3,(H,19,20)
InChIKeyRSVGNUNASWDKKK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.92
Rot. Bonds5

About 4-methyl-N-(2-phenylbutyl)benzamide

4-methyl-N-(2-phenylbutyl)benzamide (PubChem CID 52988708) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylbutyl)benzamide
PubChem CID52988708
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methyl-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-15(16-7-5-4-6-8-16)13-19-18(20)17-11-9-14(2)10-12-17/h4-12,15H,3,13H2,1-2H3,(H,19,20)
InChIKeyRSVGNUNASWDKKK-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 100829555
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-methyl-N-(2-phenylbutyl)benzamide (CID 52988708) is 4-methyl-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-phenylbutyl)benzamide?
The InChIKey is RSVGNUNASWDKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-15(16-7-5-4-6-8-16)13-19-18(20)17-11-9-14(2)10-12-17/h4-12,15H,3,13H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-(2-phenylbutyl)benzamide?
4-methyl-N-(2-phenylbutyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 52988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).