5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide

C15H17NO3 — CID 154345580

IUPAC5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1ccc(C2(OC)C=CC=C(C(N)=O)C2)cc1
InChIInChI=1S/C15H17NO3/c1-18-13-7-5-12(6-8-13)15(19-2)9-3-4-11(10-15)14(16)17/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyFMWIBYIITPAELA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds4

About 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide

5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 154345580) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID154345580
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1ccc(C2(OC)C=CC=C(C(N)=O)C2)cc1
InChIInChI=1S/C15H17NO3/c1-18-13-7-5-12(6-8-13)15(19-2)9-3-4-11(10-15)14(16)17/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyFMWIBYIITPAELA-UHFFFAOYSA-N
XLogP1.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide
CID 142776460
5-(2,3-dihydroxypropoxy)-5-methoxycyclohexa-1,3-diene-1-carboxamide
CID 67946506
5-[4-(2-cyanopropan-2-yl)-3-(4-methoxyphenyl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783107
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one
CID 134987435
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1,3,5-trimethoxybenzene;urea
CID 174919725
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
CID 102232708

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide (CID 154345580) is 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide is COc1ccc(C2(OC)C=CC=C(C(N)=O)C2)cc1.
What is the InChIKey of 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is FMWIBYIITPAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-7-5-12(6-8-13)15(19-2)9-3-4-11(10-15)14(16)17/h3-9H,10H2,1-2H3,(H2,16,17).
What are the key properties of 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide?
5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 154345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).