N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C15H18N2O — CID 90627328

IUPACN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCc1ccc(NC(=O)N2C3C=CCC2CC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18)
InChIKeyRHBNWVGJOPREBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds1

About N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 90627328) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID90627328
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCc1ccc(NC(=O)N2C3C=CCC2CC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18)
InChIKeyRHBNWVGJOPREBH-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
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

4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
CID 90627255
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110437
N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63762447
(2R)-2,5-dimethyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 143234820
8-azabicyclo[3.2.1]oct-2-en-8-yl-(4-butoxyphenyl)methanone
CID 90627142
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
(1S,6R)-N-(4-acetylphenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 50974392
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
CID 141422068

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 90627328) is N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is Cc1ccc(NC(=O)N2C3C=CCC2CC3)cc1.
What is the InChIKey of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is RHBNWVGJOPREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 90627328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).