ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide

C18H22N2O2 — CID 143405821

IUPACethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCC.CNC(=O)c1cccc(-c2ccc(C)c(C(N)=O)c2)c1
InChIInChI=1S/C16H16N2O2.C2H6/c1-10-6-7-12(9-14(10)15(17)19)11-4-3-5-13(8-11)16(20)18-2;1-2/h3-9H,1-2H3,(H2,17,19)(H,18,20);1-2H3
InChIKeyKMVZBRCCJWLLBP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds3

About ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide

ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 143405821) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Nameethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID143405821
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCC.CNC(=O)c1cccc(-c2ccc(C)c(C(N)=O)c2)c1
InChIInChI=1S/C16H16N2O2.C2H6/c1-10-6-7-12(9-14(10)15(17)19)11-4-3-5-13(8-11)16(20)18-2;1-2/h3-9H,1-2H3,(H2,17,19)(H,18,20);1-2H3
InChIKeyKMVZBRCCJWLLBP-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-5-[3-(methylcarbamoyl)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-amino-N-methylbenzamide;2-methylbenzamide
CID 161133273
3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
CID 86048120
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
benzene;2-carbamoyl-5-[3-carboxy-4-(methylcarbamoyl)phenyl]benzoic acid;silver
CID 169424102
3-(4-formamidophenyl)-N-methylbenzamide
CID 168653692
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
disodium;2-carbamoyl-5-[3-carboxylato-4-(methylcarbamoyl)phenyl]benzoate
CID 20781537

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide (CID 143405821) is ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide is CC.CNC(=O)c1cccc(-c2ccc(C)c(C(N)=O)c2)c1.
What is the InChIKey of ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is KMVZBRCCJWLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C2H6/c1-10-6-7-12(9-14(10)15(17)19)11-4-3-5-13(8-11)16(20)18-2;1-2/h3-9H,1-2H3,(H2,17,19)(H,18,20);1-2H3.
What are the key properties of ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide?
ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 143405821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).