3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide

C18H20N2O2 — CID 46461694

IUPAC3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1
InChIInChI=1S/C18H20N2O2/c1-4-13-8-10-14(11-9-13)17(21)20-16-7-5-6-15(12(16)2)18(22)19-3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGPYXDHAIVOKFOC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.17
Rot. Bonds4

About 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide

3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide (PubChem CID 46461694) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
PubChem CID46461694
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1
InChIInChI=1S/C18H20N2O2/c1-4-13-8-10-14(11-9-13)17(21)20-16-7-5-6-15(12(16)2)18(22)19-3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGPYXDHAIVOKFOC-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
CID 55660483
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
CID 17341399
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide (CID 46461694) is 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide is CCc1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1.
What is the InChIKey of 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide?
The InChIKey is GPYXDHAIVOKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-13-8-10-14(11-9-13)17(21)20-16-7-5-6-15(12(16)2)18(22)19-3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide?
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 46461694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).