N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H21NO — CID 42909018

IUPACN-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H21NO/c1-11(2)14-5-3-4-6-16(14)18-17(19)15-10-12-7-8-13(15)9-12/h3-8,11-13,15H,9-10H2,1-2H3,(H,18,19)
InChIKeyCTUXGTUHDRHNLA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.96
Rot. Bonds3

About N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42909018) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42909018
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H21NO/c1-11(2)14-5-3-4-6-16(14)18-17(19)15-10-12-7-8-13(15)9-12/h3-8,11-13,15H,9-10H2,1-2H3,(H,18,19)
InChIKeyCTUXGTUHDRHNLA-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.96
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,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
2-N-phenyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140809
(1S,6R)-6-[(2-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6953281
N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 154750697
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
(1R,2S,4S)-N-[2-(2-cyanoethylsulfanyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98160591
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42909018) is N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CC(C)c1ccccc1NC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is CTUXGTUHDRHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11(2)14-5-3-4-6-16(14)18-17(19)15-10-12-7-8-13(15)9-12/h3-8,11-13,15H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42909018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).