N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H20N2O — CID 55177352

IUPACN-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(CNC(=O)C1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-15(12-4-2-1-3-5-12)10-18-16(19)14-9-11-6-7-13(14)8-11/h1-7,11,13-15H,8-10,17H2,(H,18,19)
InChIKeyDMEHDWAEZBBXAZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds4

About N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 55177352) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID55177352
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(CNC(=O)C1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-15(12-4-2-1-3-5-12)10-18-16(19)14-9-11-6-7-13(14)8-11/h1-7,11,13-15H,8-10,17H2,(H,18,19)
InChIKeyDMEHDWAEZBBXAZ-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 55177352) is N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(CNC(=O)C1CC2C=CC1C2)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is DMEHDWAEZBBXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-15(12-4-2-1-3-5-12)10-18-16(19)14-9-11-6-7-13(14)8-11/h1-7,11,13-15H,8-10,17H2,(H,18,19).
What are the key properties of N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 55177352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).