N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide

C22H22N2O2 — CID 143365764

IUPACN-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1=CC=CCC1N(C)C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-23(21(25)17-11-5-3-6-12-17)19-15-9-10-16-20(19)24(2)22(26)18-13-7-4-8-14-18/h3-15,20H,16H2,1-2H3
InChIKeyLUTFEZXXTCNHHO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.74
Rot. Bonds4

About N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide

N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide (PubChem CID 143365764) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide
PubChem CID143365764
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1=CC=CCC1N(C)C(=O)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-23(21(25)17-11-5-3-6-12-17)19-15-9-10-16-20(19)24(2)22(26)18-13-7-4-8-14-18/h3-15,20H,16H2,1-2H3
InChIKeyLUTFEZXXTCNHHO-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide 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

5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 143180347
N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide
CID 129060249
N-methyl-N-(2-oxocyclohexyl)benzamide
CID 10977310
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-[(3R,4R)-4-[benzoyl(methyl)amino]-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 100825376
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 70564910

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide?
The IUPAC name of N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide (CID 143365764) is N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide?
The canonical SMILES for N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1=CC=CCC1N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide?
The InChIKey is LUTFEZXXTCNHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-23(21(25)17-11-5-3-6-12-17)19-15-9-10-16-20(19)24(2)22(26)18-13-7-4-8-14-18/h3-15,20H,16H2,1-2H3.
What are the key properties of N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide?
N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide is sourced from PubChem (CID 143365764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).