3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide

C21H25N3O3 — CID 113131139

IUPAC3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14-5-6-15(2)20(13-14)23-21(27)11-12-24(17(4)26)19-9-7-18(8-10-19)22-16(3)25/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyBWTSCLHHWCKXOM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.64
Rot. Bonds6

About 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113131139) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113131139
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14-5-6-15(2)20(13-14)23-21(27)11-12-24(17(4)26)19-9-7-18(8-10-19)22-16(3)25/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyBWTSCLHHWCKXOM-UHFFFAOYSA-N
XLogP3.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113175635
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113131139) is 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide is CC(=O)Nc1ccc(N(CCC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is BWTSCLHHWCKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-5-6-15(2)20(13-14)23-21(27)11-12-24(17(4)26)19-9-7-18(8-10-19)22-16(3)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-(2,5-dimethylphenyl)propanamide?
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113131139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).