N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide

C24H22N2O3 — CID 16823198

IUPACN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccc5ccccc5c4)cc1c32
InChIInChI=1S/C24H22N2O3/c1-15-21-13-19(11-18-7-4-10-26(23(18)21)24(15)28)25-22(27)14-29-20-9-8-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,11-13,15H,4,7,10,14H2,1H3,(H,25,27)
InChIKeyNTCLRVKBICNOPY-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.25
Rot. Bonds4

About N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide

N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 16823198) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID16823198
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccc5ccccc5c4)cc1c32
InChIInChI=1S/C24H22N2O3/c1-15-21-13-19(11-18-7-4-10-26(23(18)21)24(15)28)25-22(27)14-29-20-9-8-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,11-13,15H,4,7,10,14H2,1H3,(H,25,27)
InChIKeyNTCLRVKBICNOPY-UHFFFAOYSA-N
XLogP4.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide (CID 16823198) is N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide is CC1C(=O)N2CCCc3cc(NC(=O)COc4ccc5ccccc5c4)cc1c32.
What is the InChIKey of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is NTCLRVKBICNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-21-13-19(11-18-7-4-10-26(23(18)21)24(15)28)25-22(27)14-29-20-9-8-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,11-13,15H,4,7,10,14H2,1H3,(H,25,27).
What are the key properties of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide?
N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 386.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 16823198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).