3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide

C20H24N2O5 — CID 113128824

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-14(23)22(17-7-5-6-8-18(17)26-3)12-11-20(24)21-16-10-9-15(25-2)13-19(16)27-4/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyXAHBRIREZIGWSY-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.09
Rot. Bonds8

About 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113128824) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113128824
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-14(23)22(17-7-5-6-8-18(17)26-3)12-11-20(24)21-16-10-9-15(25-2)13-19(16)27-4/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyXAHBRIREZIGWSY-UHFFFAOYSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide (CID 113128824) is 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is XAHBRIREZIGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(23)22(17-7-5-6-8-18(17)26-3)12-11-20(24)21-16-10-9-15(25-2)13-19(16)27-4/h5-10,13H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113128824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).