3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide

C18H20N2O2 — CID 70972215

IUPAC3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-4-19-17(21)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyQYJXUUFCINGWLO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

About 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide

3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide (PubChem CID 70972215) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
PubChem CID70972215
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-4-19-17(21)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyQYJXUUFCINGWLO-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
CID 119504359
N-ethyl-3-hydroxybenzamide
CID 13175248
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide?
The IUPAC name of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide (CID 70972215) is 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide?
The canonical SMILES for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide is CCNC(=O)c1cccc(-c2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide?
The InChIKey is QYJXUUFCINGWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-19-17(21)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide?
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide is sourced from PubChem (CID 70972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).