2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide

C16H18N2O2 — CID 141314967

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
SMILESCC1C=CC=CC1(C)c1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C16H18N2O2/c1-10-6-3-4-9-16(10,2)13-11(14(17)19)7-5-8-12(13)15(18)20/h3-10H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyXVZNXBNFLYBYDR-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.90
Rot. Bonds3

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide (PubChem CID 141314967) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
PubChem CID141314967
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
SMILESCC1C=CC=CC1(C)c1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C16H18N2O2/c1-10-6-3-4-9-16(10,2)13-11(14(17)19)7-5-8-12(13)15(18)20/h3-10H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyXVZNXBNFLYBYDR-UHFFFAOYSA-N
XLogP1.90
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide 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

Phthalamide
CID 6956
2-Methylbenzamide
CID 10704
m-Toluamide
CID 69253
Isophthalamide
CID 74445
p-(tert-Butyl)benzamide
CID 92014
3,4-Dimethylbenzamide
CID 21755
2,3-Dimethylbenzamide
CID 2800987
[1,1'-Biphenyl]-4-carboxamide, 4'-pentyl-
CID 105479
3-[(3R,4R)-3,4-Dimethyl-1-(3,5,5-trimethyl-hexyl)-piperidin-4-yl]-benzamide
CID 44358880
4-(4-Pentylcyclohexyl)benzamide
CID 1736061
3-(3-Oxo-3-phenyl-propenyl)-benzamide
CID 9816406
2'',4'',6''-Trimethyl-biphenyl-4-carboxylic acid hydroxyamide
CID 44307273

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide (CID 141314967) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide is CC1C=CC=CC1(C)c1c(C(N)=O)cccc1C(N)=O.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide?
The InChIKey is XVZNXBNFLYBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-6-3-4-9-16(10,2)13-11(14(17)19)7-5-8-12(13)15(18)20/h3-10H,1-2H3,(H2,17,19)(H2,18,20).
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 141314967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).