3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

C22H26N2O3 — CID 109053113

IUPAC3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-5,7-10,13-14,20H,3,6,11-12,15H2,1-2H3,(H,23,25)
InChIKeyQFGGMRSLTNLHRH-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.57
Rot. Bonds6

About 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109053113) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109053113
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-5,7-10,13-14,20H,3,6,11-12,15H2,1-2H3,(H,23,25)
InChIKeyQFGGMRSLTNLHRH-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)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

3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109053113) is 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C)c1.
What is the InChIKey of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is QFGGMRSLTNLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-24(19-10-4-7-16(2)13-19)22(26)18-9-5-8-17(14-18)21(25)23-15-20-11-6-12-27-20/h4-5,7-10,13-14,20H,3,6,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).