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

C16H19NO2 — CID 66716073

IUPAC6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCCOC1(C)C(c2ccccc2)=CC=CC1C(N)=O
InChIInChI=1S/C16H19NO2/c1-3-19-16(2)13(12-8-5-4-6-9-12)10-7-11-14(16)15(17)18/h4-11,14H,3H2,1-2H3,(H2,17,18)
InChIKeyASQJPRJNZJFIKV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.54
Rot. Bonds4

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

6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 66716073) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
PubChem CID66716073
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESCCOC1(C)C(c2ccccc2)=CC=CC1C(N)=O
InChIInChI=1S/C16H19NO2/c1-3-19-16(2)13(12-8-5-4-6-9-12)10-7-11-14(16)15(17)18/h4-11,14H,3H2,1-2H3,(H2,17,18)
InChIKeyASQJPRJNZJFIKV-UHFFFAOYSA-N
XLogP2.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-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-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide (CID 66716073) is 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is CCOC1(C)C(c2ccccc2)=CC=CC1C(N)=O.
What is the InChIKey of 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ASQJPRJNZJFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16(2)13(12-8-5-4-6-9-12)10-7-11-14(16)15(17)18/h4-11,14H,3H2,1-2H3,(H2,17,18).
What are the key properties of 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide?
6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66716073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).