N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide

C16H22N2O — CID 81478648

IUPACN-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESNC(CNC(=O)C1C2CCCCC21)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-14(11-6-2-1-3-7-11)10-18-16(19)15-12-8-4-5-9-13(12)15/h1-3,6-7,12-15H,4-5,8-10,17H2,(H,18,19)
InChIKeyCJLHWLBYGZEQMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.24
Rot. Bonds4

About N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81478648) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81478648
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESNC(CNC(=O)C1C2CCCCC21)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-14(11-6-2-1-3-7-11)10-18-16(19)15-12-8-4-5-9-13(12)15/h1-3,6-7,12-15H,4-5,8-10,17H2,(H,18,19)
InChIKeyCJLHWLBYGZEQMV-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119525798
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N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
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N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
benzyl 3-(bicyclo[3.1.0]hexane-6-carbonylamino)-2-hydroxypropanoate
CID 75440912
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
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CID 119528830
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
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N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 81478648) is N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide is NC(CNC(=O)C1C2CCCCC21)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is CJLHWLBYGZEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14(11-6-2-1-3-7-11)10-18-16(19)15-12-8-4-5-9-13(12)15/h1-3,6-7,12-15H,4-5,8-10,17H2,(H,18,19).
What are the key properties of N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.24, 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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81478648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).