N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide

C15H17NO — CID 145350320

IUPACN-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCCc1ccc(NC(=O)C2=CCCC=C2)cc1
InChIInChI=1S/C15H17NO/c1-2-12-8-10-14(11-9-12)16-15(17)13-6-4-3-5-7-13/h4,6-11H,2-3,5H2,1H3,(H,16,17)
InChIKeyXBANVXOITKMPCY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.46
Rot. Bonds3

About N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide

N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 145350320) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID145350320
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCCc1ccc(NC(=O)C2=CCCC=C2)cc1
InChIInChI=1S/C15H17NO/c1-2-12-8-10-14(11-9-12)16-15(17)13-6-4-3-5-7-13/h4,6-11H,2-3,5H2,1H3,(H,16,17)
InChIKeyXBANVXOITKMPCY-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide (CID 145350320) is N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide is CCc1ccc(NC(=O)C2=CCCC=C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is XBANVXOITKMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-12-8-10-14(11-9-12)16-15(17)13-6-4-3-5-7-13/h4,6-11H,2-3,5H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide?
N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 145350320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).