3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide

C20H23N3O4 — CID 113131035

IUPAC3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(24)21-17-5-4-6-18(13-17)23(15(2)25)12-11-20(26)22-16-7-9-19(27-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQBQQPUXNBPVJII-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.04
Rot. Bonds7

About 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide

3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113131035) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113131035
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(24)21-17-5-4-6-18(13-17)23(15(2)25)12-11-20(26)22-16-7-9-19(27-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQBQQPUXNBPVJII-UHFFFAOYSA-N
XLogP3.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
methyl 3-[3-(N-acetyl-4-methoxyanilino)propanoylamino]benzoate
CID 113129180
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
methyl 4-[3-(N,3-diacetylanilino)propanoylamino]benzoate
CID 113130750
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide (CID 113131035) is 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is QBQQPUXNBPVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(24)21-17-5-4-6-18(13-17)23(15(2)25)12-11-20(26)22-16-7-9-19(27-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide?
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113131035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).