3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide

C20H24N2O3 — CID 113129069

IUPAC3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(16(2)23)18-8-10-19(25-3)11-9-18/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyATQYVKWCIIPPHZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.06
Rot. Bonds7

About 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide

3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113129069) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113129069
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(16(2)23)18-8-10-19(25-3)11-9-18/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyATQYVKWCIIPPHZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 113129069) is 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(N(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ATQYVKWCIIPPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(16(2)23)18-8-10-19(25-3)11-9-18/h4-11H,12-14H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113129069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).