3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C22H26N2O5 — CID 113130831

IUPAC3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-15(25)18-6-8-19(9-7-18)24(16(2)26)12-11-22(27)23-14-17-5-10-20(28-3)21(13-17)29-4/h5-10,13H,11-12,14H2,1-4H3,(H,23,27)
InChIKeyGXEGKPGQHICSSB-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.97
Rot. Bonds9

About 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 113130831) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID113130831
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-15(25)18-6-8-19(9-7-18)24(16(2)26)12-11-22(27)23-14-17-5-10-20(28-3)21(13-17)29-4/h5-10,13H,11-12,14H2,1-4H3,(H,23,27)
InChIKeyGXEGKPGQHICSSB-UHFFFAOYSA-N
XLogP2.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]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-acetyl-4-(dimethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113131726
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
3-(N-acetyl-3,5-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124689
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 113130831) is 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is GXEGKPGQHICSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(25)18-6-8-19(9-7-18)24(16(2)26)12-11-22(27)23-14-17-5-10-20(28-3)21(13-17)29-4/h5-10,13H,11-12,14H2,1-4H3,(H,23,27).
What are the key properties of 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113130831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).