N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide

C20H25NO3 — CID 99993947

IUPACN-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
SMILESCC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO3/c1-5-19(16-7-6-14(2)15(3)12-16)21-20(22)13-24-18-10-8-17(23-4)9-11-18/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyOBEOIMLTKQDWAV-IBGZPJMESA-N
MW327.42 g/mol
LogP3.96
Rot. Bonds7

About N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide

N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 99993947) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID99993947
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
SMILESCC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO3/c1-5-19(16-7-6-14(2)15(3)12-16)21-20(22)13-24-18-10-8-17(23-4)9-11-18/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyOBEOIMLTKQDWAV-IBGZPJMESA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133184316
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide (CID 99993947) is N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide is CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is OBEOIMLTKQDWAV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-19(16-7-6-14(2)15(3)12-16)21-20(22)13-24-18-10-8-17(23-4)9-11-18/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide?
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 99993947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).