N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

C19H18N2O2 — CID 20916365

IUPACN-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc2cccc3c2n1CCO3
InChIInChI=1S/C19H18N2O2/c1-13-5-2-3-6-15(13)12-20-19(22)16-11-14-7-4-8-17-18(14)21(16)9-10-23-17/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyARWDCSMMGUINBN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.27
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (PubChem CID 20916365) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
PubChem CID20916365
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc2cccc3c2n1CCO3
InChIInChI=1S/C19H18N2O2/c1-13-5-2-3-6-15(13)12-20-19(22)16-11-14-7-4-8-17-18(14)21(16)9-10-23-17/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyARWDCSMMGUINBN-UHFFFAOYSA-N
XLogP3.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide 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 N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (CID 20916365) is N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is Cc1ccccc1CNC(=O)c1cc2cccc3c2n1CCO3.
What is the InChIKey of N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The InChIKey is ARWDCSMMGUINBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-5-2-3-6-15(13)12-20-19(22)16-11-14-7-4-8-17-18(14)21(16)9-10-23-17/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 20916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).