N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide

C21H23N3O4 — CID 113130904

IUPACN-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H23N3O4/c1-14(25)17-7-9-20(10-8-17)24(16(3)27)12-11-21(28)23-19-6-4-5-18(13-19)22-15(2)26/h4-10,13H,11-12H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyVAHNFCVRUUBRSN-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.23
Rot. Bonds7

About N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide

N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide (PubChem CID 113130904) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
PubChem CID113130904
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H23N3O4/c1-14(25)17-7-9-20(10-8-17)24(16(3)27)12-11-21(28)23-19-6-4-5-18(13-19)22-15(2)26/h4-10,13H,11-12H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyVAHNFCVRUUBRSN-UHFFFAOYSA-N
XLogP3.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
methyl 4-[3-(N,3-diacetylanilino)propanoylamino]benzoate
CID 113130750
methyl 3-[3-(N-acetyl-4-methoxyanilino)propanoylamino]benzoate
CID 113129180
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide (CID 113130904) is N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide is CC(=O)Nc1cccc(NC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide?
The InChIKey is VAHNFCVRUUBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)17-7-9-20(10-8-17)24(16(3)27)12-11-21(28)23-19-6-4-5-18(13-19)22-15(2)26/h4-10,13H,11-12H2,1-3H3,(H,22,26)(H,23,28).
What are the key properties of N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide?
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide is sourced from PubChem (CID 113130904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).