(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate

C24H30N2O5 — CID 10137287

IUPAC(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCC2C3CCC2N(Cc2ccccc2)C3)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-28-21-11-18(12-22(29-2)23(21)30-3)25-24(27)31-15-19-17-9-10-20(19)26(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,17,19-20H,9-10,13-15H2,1-3H3,(H,25,27)
InChIKeyXMKBBMCKCYGYAH-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.17
Rot. Bonds8

About (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate

(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate (PubChem CID 10137287) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
PubChem CID10137287
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCC2C3CCC2N(Cc2ccccc2)C3)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-28-21-11-18(12-22(29-2)23(21)30-3)25-24(27)31-15-19-17-9-10-20(19)26(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,17,19-20H,9-10,13-15H2,1-3H3,(H,25,27)
InChIKeyXMKBBMCKCYGYAH-UHFFFAOYSA-N
XLogP4.17
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate?
The IUPAC name of (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate (CID 10137287) is (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate.
What is the SMILES notation for (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate?
The canonical SMILES for (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate is COc1cc(NC(=O)OCC2C3CCC2N(Cc2ccccc2)C3)cc(OC)c1OC.
What is the InChIKey of (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate?
The InChIKey is XMKBBMCKCYGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-28-21-11-18(12-22(29-2)23(21)30-3)25-24(27)31-15-19-17-9-10-20(19)26(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,17,19-20H,9-10,13-15H2,1-3H3,(H,25,27).
What are the key properties of (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate?
(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate has a molecular weight of 426.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate is sourced from PubChem (CID 10137287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).