3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

C21H25N3O4 — CID 113131170

IUPAC3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-14-5-10-20(28-4)19(13-14)23-21(27)11-12-24(16(3)26)18-8-6-17(7-9-18)22-15(2)25/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyQVBBIBZHGZHTJJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.34
Rot. Bonds7

About 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113131170) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113131170
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-14-5-10-20(28-4)19(13-14)23-21(27)11-12-24(16(3)26)18-8-6-17(7-9-18)22-15(2)25/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyQVBBIBZHGZHTJJ-UHFFFAOYSA-N
XLogP3.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
CID 8779947
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
methyl 4-[acetyl-[3-(4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131524
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (CID 113131170) is 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is QVBBIBZHGZHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-5-10-20(28-4)19(13-14)23-21(27)11-12-24(16(3)26)18-8-6-17(7-9-18)22-15(2)25/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113131170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).