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

C25H23N3O2 — CID 71524635

IUPACN-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3
InChIKeyKBAIXLXDNHHHAQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.08
Rot. Bonds4

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

N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide (PubChem CID 71524635) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-6-phenyl-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-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
PubChem CID71524635
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3
InChIKeyKBAIXLXDNHHHAQ-UHFFFAOYSA-N
XLogP4.08
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.08
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-6-phenyl-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-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide (CID 71524635) is N-methyl-2-(2-oxo-6-phenyl-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-6-phenyl-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-6-phenyl-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(cc(-c4ccccc4)cc31)CCC2)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
The InChIKey is KBAIXLXDNHHHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide has a molecular weight of 397.48 g/mol, XLogP of 4.08, 4 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-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide is sourced from PubChem (CID 71524635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).