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

C19H19N3O2 — CID 23153805

IUPACN-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n2c3c(cccc31)CCC2)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-20(15-9-3-2-4-10-15)17(23)13-22-16-11-5-7-14-8-6-12-21(18(14)16)19(22)24/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyQITNMJPMKXOORP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds3

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

N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide (PubChem CID 23153805) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
PubChem CID23153805
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n2c3c(cccc31)CCC2)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-20(15-9-3-2-4-10-15)17(23)13-22-16-11-5-7-14-8-6-12-21(18(14)16)19(22)24/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyQITNMJPMKXOORP-UHFFFAOYSA-N
XLogP2.41
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide (CID 23153805) is N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide is CN(C(=O)Cn1c(=O)n2c3c(cccc31)CCC2)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
The InChIKey is QITNMJPMKXOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-20(15-9-3-2-4-10-15)17(23)13-22-16-11-5-7-14-8-6-12-21(18(14)16)19(22)24/h2-5,7,9-11H,6,8,12-13H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide is sourced from PubChem (CID 23153805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).