3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide

C16H19NO3 — CID 66716630

IUPAC3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC(C(N)=O)C(C)(OC)C(c2ccccc2)=C1
InChIInChI=1S/C16H19NO3/c1-16(20-3)13(11-7-5-4-6-8-11)9-12(19-2)10-14(16)15(17)18/h4-10,14H,1-3H3,(H2,17,18)
InChIKeyJNPWSNRLZGKRQF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.12
Rot. Bonds4

About 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide

3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 66716630) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
PubChem CID66716630
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC(C(N)=O)C(C)(OC)C(c2ccccc2)=C1
InChIInChI=1S/C16H19NO3/c1-16(20-3)13(11-7-5-4-6-8-11)9-12(19-2)10-14(16)15(17)18/h4-10,14H,1-3H3,(H2,17,18)
InChIKeyJNPWSNRLZGKRQF-UHFFFAOYSA-N
XLogP2.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethoxy-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 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (CID 66716630) is 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is COC1=CC(C(N)=O)C(C)(OC)C(c2ccccc2)=C1.
What is the InChIKey of 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is JNPWSNRLZGKRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(20-3)13(11-7-5-4-6-8-11)9-12(19-2)10-14(16)15(17)18/h4-10,14H,1-3H3,(H2,17,18).
What are the key properties of 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66716630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).