2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

C20H25NO2 — CID 28570284

IUPAC2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-5-19(16-8-10-18(23-4)11-9-16)21-20(22)13-17-12-14(2)6-7-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyDTRQWTUKQMRKQB-IBGZPJMESA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 28570284) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID28570284
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-5-19(16-8-10-18(23-4)11-9-16)21-20(22)13-17-12-14(2)6-7-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyDTRQWTUKQMRKQB-IBGZPJMESA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (CID 28570284) is 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is DTRQWTUKQMRKQB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-19(16-8-10-18(23-4)11-9-16)21-20(22)13-17-12-14(2)6-7-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 28570284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).