3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

C20H23N3O3 — CID 109053236

IUPAC3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-14(24)15-6-5-9-18(13-15)22-20(26)17-8-4-7-16(12-17)19(25)21-10-11-23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyCOHBYJWJMFWQND-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.43
Rot. Bonds7

About 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109053236) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID109053236
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-14(24)15-6-5-9-18(13-15)22-20(26)17-8-4-7-16(12-17)19(25)21-10-11-23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyCOHBYJWJMFWQND-UHFFFAOYSA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide 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

methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943910
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (CID 109053236) is 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is COHBYJWJMFWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(24)15-6-5-9-18(13-15)22-20(26)17-8-4-7-16(12-17)19(25)21-10-11-23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).