6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide

C16H16N2O2 — CID 69262165

IUPAC6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1(c2cc(C)ccc2C#N)C=CC=CC1C(N)=O
InChIInChI=1S/C16H16N2O2/c1-11-6-7-12(10-17)14(9-11)16(20-2)8-4-3-5-13(16)15(18)19/h3-9,13H,1-2H3,(H2,18,19)
InChIKeyFBELYIXZWMLMFI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds3

About 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide

6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide (PubChem CID 69262165) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide
PubChem CID69262165
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1(c2cc(C)ccc2C#N)C=CC=CC1C(N)=O
InChIInChI=1S/C16H16N2O2/c1-11-6-7-12(10-17)14(9-11)16(20-2)8-4-3-5-13(16)15(18)19/h3-9,13H,1-2H3,(H2,18,19)
InChIKeyFBELYIXZWMLMFI-UHFFFAOYSA-N
XLogP1.94
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-Ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-6-methoxycyclohexa-2,4-diene-1-carboxamide
CID 87088870
6-(3-Methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)cyclohexa-2,4-diene-1-carboxamide
CID 175777497
2-(1,6-dimethyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)acetamide
CID 21495290
3-Methoxy-3-phenylbutanamide
CID 56986298
3-Methoxy-3-phenylpentanamide
CID 66580018
3-Methoxy-2-methyl-3-phenylpentanamide
CID 66580125
2-(3-Cyano-4-phenylphenyl)-2-ethyloxane-4-carboxamide
CID 66647139
3-Cyano-2-ethyl-2-(4-phenylphenyl)oxane-4-carboxamide
CID 66647141
6-Methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
CID 66715910
6-Ethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
CID 66716073
3,6-Dimethoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
CID 66716630
3-[2,6-Di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide
CID 67942741

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide (CID 69262165) is 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide is COC1(c2cc(C)ccc2C#N)C=CC=CC1C(N)=O.
What is the InChIKey of 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FBELYIXZWMLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-6-7-12(10-17)14(9-11)16(20-2)8-4-3-5-13(16)15(18)19/h3-9,13H,1-2H3,(H2,18,19).
What are the key properties of 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide?
6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyano-5-methylphenyl)-6-methoxycyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 69262165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).