N-(3-methyl-1-phenylbutyl)benzamide

C18H21NO — CID 46770250

IUPACN-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-14(2)13-17(15-9-5-3-6-10-15)19-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKeyQLTGTUTZASBOJE-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.20
Rot. Bonds5

About N-(3-methyl-1-phenylbutyl)benzamide

N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 46770250) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)benzamide
PubChem CID46770250
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-14(2)13-17(15-9-5-3-6-10-15)19-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKeyQLTGTUTZASBOJE-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
2-[(3-benzamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119188451
3-benzamido-3-phenylpropanoic acid
CID 2834576
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)benzamide (CID 46770250) is N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is QLTGTUTZASBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(2)13-17(15-9-5-3-6-10-15)19-18(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methyl-1-phenylbutyl)benzamide?
N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 46770250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).