N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H18N2O — CID 116649982

IUPACN-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNc1ccc(CNC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C15H18N2O/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h1-6,11-12,14H,7-9,16H2,(H,17,18)
InChIKeyGWKKZLBHQYDWMH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.10
Rot. Bonds3

About N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 116649982) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID116649982
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNc1ccc(CNC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C15H18N2O/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h1-6,11-12,14H,7-9,16H2,(H,17,18)
InChIKeyGWKKZLBHQYDWMH-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 81089916
(1R,2S,4S)-N-[[4-(dimethylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98416971
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 61284123
(1R,2S,4R)-N-(3H-benzimidazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide;formic acid
CID 154922151
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
(1R,2S,4S)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98384572
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60983050
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
(1R,2S,4S)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98165229

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 116649982) is N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is Nc1ccc(CNC(=O)C2CC3C=CC2C3)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is GWKKZLBHQYDWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h1-6,11-12,14H,7-9,16H2,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 116649982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).