3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C20H22N2O3 — CID 17362725

IUPAC3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-2-6-15(11-14)20(24)22-17-8-3-7-16(12-17)19(23)21-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyYUXNAGLWIWYYRU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds5

About 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 17362725) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID17362725
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-2-6-15(11-14)20(24)22-17-8-3-7-16(12-17)19(23)21-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyYUXNAGLWIWYYRU-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide 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-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
3-[(4-methylbenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202627
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 17362725) is 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is YUXNAGLWIWYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-2-6-15(11-14)20(24)22-17-8-3-7-16(12-17)19(23)21-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17362725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).