(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate

C24H30N2O3 — CID 10046170

IUPAC(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate
SMILESCOc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)
InChIKeyLTMXOVNSECYFSK-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.14
Rot. Bonds5

About (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate

(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate (PubChem CID 10046170) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate.

Molecular Properties

Compound Name(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate
PubChem CID10046170
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate
SMILESCOc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)
InChIKeyLTMXOVNSECYFSK-UHFFFAOYSA-N
XLogP5.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)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 (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate?
The IUPAC name of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate (CID 10046170) is (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate.
What is the SMILES notation for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate?
The canonical SMILES for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate is COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate?
The InChIKey is LTMXOVNSECYFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27).
What are the key properties of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate?
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate has a molecular weight of 394.52 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) N-(2-methoxy-5-methylphenyl)carbamate is sourced from PubChem (CID 10046170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).