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

C18H21NO2 — CID 27754182

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
SMILESCC[C@H](NC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19-18(20)13-21-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyVEMKJMBFQSEVEP-KRWDZBQOSA-N
MW283.37 g/mol
LogP3.64
Rot. Bonds6

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

N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide (PubChem CID 27754182) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
PubChem CID27754182
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
SMILESCC[C@H](NC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19-18(20)13-21-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyVEMKJMBFQSEVEP-KRWDZBQOSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 17328368
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide (CID 27754182) is N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide is CC[C@H](NC(=O)COc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide?
The InChIKey is VEMKJMBFQSEVEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-17(15-11-9-14(2)10-12-15)19-18(20)13-21-16-7-5-4-6-8-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide has a molecular weight of 283.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide is sourced from PubChem (CID 27754182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).