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

C18H19NO2 — CID 671836

IUPAC4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCC1=CC(=O)C(C(C)C)=C/C1=N\C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-12(3)6-8-14/h5-11H,1-4H3/b19-16+
InChIKeyCQZRFXNAGTXDIN-KNTRCKAVSA-N
MW281.36 g/mol
LogP3.69
Rot. Bonds2

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

4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide (PubChem CID 671836) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
PubChem CID671836
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCC1=CC(=O)C(C(C)C)=C/C1=N\C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-12(3)6-8-14/h5-11H,1-4H3/b19-16+
InChIKeyCQZRFXNAGTXDIN-KNTRCKAVSA-N
XLogP3.69
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide (CID 671836) is 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide is CC1=CC(=O)C(C(C)C)=C/C1=N\C(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
The InChIKey is CQZRFXNAGTXDIN-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-12(3)6-8-14/h5-11H,1-4H3/b19-16+.
What are the key properties of 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide?
4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzamide is sourced from PubChem (CID 671836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).