3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide

C22H28N2O3 — CID 113121514

IUPAC3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CCN(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C22H28N2O3/c1-16-5-6-17(2)21(15-16)23-22(26)12-14-24(18(3)25)13-11-19-7-9-20(27-4)10-8-19/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyJKUPWNJIOSREEN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.73
Rot. Bonds8

About 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide

3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113121514) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID113121514
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CCN(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C22H28N2O3/c1-16-5-6-17(2)21(15-16)23-22(26)12-14-24(18(3)25)13-11-19-7-9-20(27-4)10-8-19/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyJKUPWNJIOSREEN-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461
3-[acetyl(2-methoxyethyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116966
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide (CID 113121514) is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide is COc1ccc(CCN(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is JKUPWNJIOSREEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-5-6-17(2)21(15-16)23-22(26)12-14-24(18(3)25)13-11-19-7-9-20(27-4)10-8-19/h5-10,15H,11-14H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113121514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).