N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide

C17H17NO2 — CID 1039952

IUPACN-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCC1=C/C(=N\C(=O)c2ccccc2)C(C(C)C)=CC1=O
InChIInChI=1S/C17H17NO2/c1-11(2)14-10-16(19)12(3)9-15(14)18-17(20)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-15+
InChIKeyJCWJJWSZWQTXLX-OBGWFSINSA-N
MW267.33 g/mol
LogP3.38
Rot. Bonds2

About N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide

N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide (PubChem CID 1039952) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
PubChem CID1039952
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCC1=C/C(=N\C(=O)c2ccccc2)C(C(C)C)=CC1=O
InChIInChI=1S/C17H17NO2/c1-11(2)14-10-16(19)12(3)9-15(14)18-17(20)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-15+
InChIKeyJCWJJWSZWQTXLX-OBGWFSINSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The IUPAC name of N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide (CID 1039952) is N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide.
What is the SMILES notation for N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The canonical SMILES for N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide is CC1=C/C(=N\C(=O)c2ccccc2)C(C(C)C)=CC1=O.
What is the InChIKey of N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The InChIKey is JCWJJWSZWQTXLX-OBGWFSINSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(2)14-10-16(19)12(3)9-15(14)18-17(20)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-15+.
What are the key properties of N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide is sourced from PubChem (CID 1039952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).