N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

C22H27N3O3 — CID 26712597

IUPACN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)17-8-7-9-19(13-17)24-20(26)14-23-21(27)18-11-15(3)10-16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGJISSCDDJUDZGA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.15
Rot. Bonds7

About N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 26712597) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID26712597
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)17-8-7-9-19(13-17)24-20(26)14-23-21(27)18-11-15(3)10-16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGJISSCDDJUDZGA-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide 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

N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 26712597) is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is GJISSCDDJUDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)17-8-7-9-19(13-17)24-20(26)14-23-21(27)18-11-15(3)10-16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 26712597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).