(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

C24H20N2O2 — CID 100769694

IUPAC(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESC[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccc5ccccc45)cn1c23
InChIInChI=1S/C24H20N2O2/c1-15-12-17-8-5-11-20-22(17)26(15)14-21(23(20)27)24(28)25-13-18-9-4-7-16-6-2-3-10-19(16)18/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeySHJGMDKTCFTBCY-HNNXBMFYSA-N
MW368.44 g/mol
LogP4.20
Rot. Bonds3

About (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (PubChem CID 100769694) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
PubChem CID100769694
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESC[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccc5ccccc45)cn1c23
InChIInChI=1S/C24H20N2O2/c1-15-12-17-8-5-11-20-22(17)26(15)14-21(23(20)27)24(28)25-13-18-9-4-7-16-6-2-3-10-19(16)18/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeySHJGMDKTCFTBCY-HNNXBMFYSA-N
XLogP4.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (CID 100769694) is (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is C[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccc5ccccc45)cn1c23.
What is the InChIKey of (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The InChIKey is SHJGMDKTCFTBCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-15-12-17-8-5-11-20-22(17)26(15)14-21(23(20)27)24(28)25-13-18-9-4-7-16-6-2-3-10-19(16)18/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is sourced from PubChem (CID 100769694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).