2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

C14H21NO2 — CID 94870263

IUPAC2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCOCC(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)9-13(15-14(16)10-17-3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,15,16)/t13-/m0/s1
InChIKeyBBRXKTRBEUVACE-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 94870263) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID94870263
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCOCC(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)9-13(15-14(16)10-17-3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,15,16)/t13-/m0/s1
InChIKeyBBRXKTRBEUVACE-ZDUSSCGKSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8513496
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8533848
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 94870263) is 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is COCC(=O)N[C@@H](CC(C)C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is BBRXKTRBEUVACE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)9-13(15-14(16)10-17-3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 94870263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).