2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

C13H19NO2 — CID 94014639

IUPAC2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COC)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-4-12(14-13(15)9-16-3)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKeyGOQOOOLHLYKMGW-LBPRGKRZSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds5

About 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 94014639) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
PubChem CID94014639
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COC)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-4-12(14-13(15)9-16-3)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKeyGOQOOOLHLYKMGW-LBPRGKRZSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604429
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-aminobenzoate
CID 7781004
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7671273
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013124
N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 17328368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (CID 94014639) is 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is CC[C@H](NC(=O)COC)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is GOQOOOLHLYKMGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-12(14-13(15)9-16-3)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,14,15)/t12-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 94014639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).