1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide

C23H22N2O3 — CID 109048051

IUPAC1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-5-6-17(16-21)14-15-24-22(26)18-10-12-19(13-11-18)23(27)25-20-7-3-2-4-8-20/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCMNHYVQDQXQTKY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.92
Rot. Bonds7

About 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide

1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109048051) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109048051
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-5-6-17(16-21)14-15-24-22(26)18-10-12-19(13-11-18)23(27)25-20-7-3-2-4-8-20/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCMNHYVQDQXQTKY-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-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

2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide (CID 109048051) is 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide is COc1cccc(CCNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is CMNHYVQDQXQTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-9-5-6-17(16-21)14-15-24-22(26)18-10-12-19(13-11-18)23(27)25-20-7-3-2-4-8-20/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).