N-cyclohexylcyclohepta-2,6-diene-1-carboxamide

C14H21NO — CID 143054259

IUPACN-cyclohexylcyclohepta-2,6-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1C=CCCC=C1
InChIInChI=1S/C14H21NO/c16-14(12-8-4-1-2-5-9-12)15-13-10-6-3-7-11-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,15,16)
InChIKeyXBJDTTGZYMTWJH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

About N-cyclohexylcyclohepta-2,6-diene-1-carboxamide

N-cyclohexylcyclohepta-2,6-diene-1-carboxamide (PubChem CID 143054259) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclohexylcyclohepta-2,6-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexylcyclohepta-2,6-diene-1-carboxamide
PubChem CID143054259
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-cyclohexylcyclohepta-2,6-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1C=CCCC=C1
InChIInChI=1S/C14H21NO/c16-14(12-8-4-1-2-5-9-12)15-13-10-6-3-7-11-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,15,16)
InChIKeyXBJDTTGZYMTWJH-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
N-cyclodecylcyclododecanecarboxamide
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1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcyclohexanecarboxamide
CID 3412875
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-cyclohexylaziridine-2-carboxamide
CID 142164432

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohepta-2,6-diene-1-carboxamide?
The IUPAC name of N-cyclohexylcyclohepta-2,6-diene-1-carboxamide (CID 143054259) is N-cyclohexylcyclohepta-2,6-diene-1-carboxamide.
What is the SMILES notation for N-cyclohexylcyclohepta-2,6-diene-1-carboxamide?
The canonical SMILES for N-cyclohexylcyclohepta-2,6-diene-1-carboxamide is O=C(NC1CCCCC1)C1C=CCCC=C1.
What is the InChIKey of N-cyclohexylcyclohepta-2,6-diene-1-carboxamide?
The InChIKey is XBJDTTGZYMTWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14(12-8-4-1-2-5-9-12)15-13-10-6-3-7-11-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,15,16).
What are the key properties of N-cyclohexylcyclohepta-2,6-diene-1-carboxamide?
N-cyclohexylcyclohepta-2,6-diene-1-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohepta-2,6-diene-1-carboxamide is sourced from PubChem (CID 143054259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).