(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate

C20H22N2O2 — CID 164860541

IUPAC(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC1(c2ccccc2)C2CNCC21
InChIInChI=1S/C20H22N2O2/c23-19(22-11-15-7-3-1-4-8-15)24-14-20(16-9-5-2-6-10-16)17-12-21-13-18(17)20/h1-10,17-18,21H,11-14H2,(H,22,23)
InChIKeyYZOJHDHIKLNANU-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.70
Rot. Bonds5

About (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate

(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate (PubChem CID 164860541) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate.

Molecular Properties

Compound Name(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
PubChem CID164860541
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC1(c2ccccc2)C2CNCC21
InChIInChI=1S/C20H22N2O2/c23-19(22-11-15-7-3-1-4-8-15)24-14-20(16-9-5-2-6-10-16)17-12-21-13-18(17)20/h1-10,17-18,21H,11-14H2,(H,22,23)
InChIKeyYZOJHDHIKLNANU-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate?
The IUPAC name of (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate (CID 164860541) is (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate.
What is the SMILES notation for (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate?
The canonical SMILES for (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate is O=C(NCc1ccccc1)OCC1(c2ccccc2)C2CNCC21.
What is the InChIKey of (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate?
The InChIKey is YZOJHDHIKLNANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(22-11-15-7-3-1-4-8-15)24-14-20(16-9-5-2-6-10-16)17-12-21-13-18(17)20/h1-10,17-18,21H,11-14H2,(H,22,23).
What are the key properties of (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate?
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate has a molecular weight of 322.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate is sourced from PubChem (CID 164860541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).