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

C26H25N3O3 — CID 71524638

IUPACN-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCOc1cccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)c1
InChIInChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3
InChIKeyMMBNZEBHBJJIPG-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.09
Rot. Bonds5

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

N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide (PubChem CID 71524638) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
PubChem CID71524638
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCOc1cccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)c1
InChIInChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3
InChIKeyMMBNZEBHBJJIPG-UHFFFAOYSA-N
XLogP4.09
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide 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-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide (CID 71524638) is N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide is COc1cccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The InChIKey is MMBNZEBHBJJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide is sourced from PubChem (CID 71524638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).