3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide

C20H23N3O3 — CID 113131003

IUPAC3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)N(C)c2ccccc2)C(C)=O)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-8-7-11-19(14-17)23(16(2)25)13-12-20(26)22(3)18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyAYCKZPGCUOBEHB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds6

About 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide

3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide (PubChem CID 113131003) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
PubChem CID113131003
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)N(C)c2ccccc2)C(C)=O)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-8-7-11-19(14-17)23(16(2)25)13-12-20(26)22(3)18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyAYCKZPGCUOBEHB-UHFFFAOYSA-N
XLogP3.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321782
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide (CID 113131003) is 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide is CC(=O)Nc1cccc(N(CCC(=O)N(C)c2ccccc2)C(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is AYCKZPGCUOBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)21-17-8-7-11-19(14-17)23(16(2)25)13-12-20(26)22(3)18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide?
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113131003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).