3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide

C23H29N3O3 — CID 113131019

IUPAC3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C23H29N3O3/c1-5-18-9-7-10-19(6-2)23(18)25-22(29)13-14-26(17(4)28)21-12-8-11-20(15-21)24-16(3)27/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyKWFQJDWHVSXSNX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.15
Rot. Bonds8

About 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide

3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide (PubChem CID 113131019) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
PubChem CID113131019
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C23H29N3O3/c1-5-18-9-7-10-19(6-2)23(18)25-22(29)13-14-26(17(4)28)21-12-8-11-20(15-21)24-16(3)27/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyKWFQJDWHVSXSNX-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113130255
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide (CID 113131019) is 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The InChIKey is KWFQJDWHVSXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-18-9-7-10-19(6-2)23(18)25-22(29)13-14-26(17(4)28)21-12-8-11-20(15-21)24-16(3)27/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113131019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).