6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide

C15H17NO2 — CID 66715910

IUPAC6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1(C)C(c2ccccc2)=CC=CC1C(N)=O
InChIInChI=1S/C15H17NO2/c1-15(18-2)12(11-7-4-3-5-8-11)9-6-10-13(15)14(16)17/h3-10,13H,1-2H3,(H2,16,17)
InChIKeyZYERFQMKJUGQBV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.15
Rot. Bonds3

About 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide

6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 66715910) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
PubChem CID66715910
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1(C)C(c2ccccc2)=CC=CC1C(N)=O
InChIInChI=1S/C15H17NO2/c1-15(18-2)12(11-7-4-3-5-8-11)9-6-10-13(15)14(16)17/h3-10,13H,1-2H3,(H2,16,17)
InChIKeyZYERFQMKJUGQBV-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide 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 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (CID 66715910) is 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is COC1(C)C(c2ccccc2)=CC=CC1C(N)=O.
What is the InChIKey of 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ZYERFQMKJUGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(18-2)12(11-7-4-3-5-8-11)9-6-10-13(15)14(16)17/h3-10,13H,1-2H3,(H2,16,17).
What are the key properties of 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66715910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).