N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide

C20H25NO2 — CID 55371721

IUPACN-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
SMILESCC(C)CC(NC(=O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(18-11-7-4-8-12-18)21-20(22)15-23-14-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,21,22)
InChIKeyOLRKEFQBRONQNH-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.11
Rot. Bonds8

About N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide

N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide (PubChem CID 55371721) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
PubChem CID55371721
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
SMILESCC(C)CC(NC(=O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(18-11-7-4-8-12-18)21-20(22)15-23-14-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,21,22)
InChIKeyOLRKEFQBRONQNH-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8513496
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide (CID 55371721) is N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide is CC(C)CC(NC(=O)COCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide?
The InChIKey is OLRKEFQBRONQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(2)13-19(18-11-7-4-8-12-18)21-20(22)15-23-14-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,21,22).
What are the key properties of N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide?
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide has a molecular weight of 311.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 55371721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).