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

C26H25N3O2 — CID 71524637

IUPACN-benzyl-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2
InChIInChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3
InChIKeyYCESGUYTXDDWMZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-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-benzyl-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 71524637) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-benzyl-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-benzyl-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 CID71524637
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-benzyl-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2
InChIInChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3
InChIKeyYCESGUYTXDDWMZ-UHFFFAOYSA-N
XLogP4.07
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-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-benzyl-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 71524637) is N-benzyl-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-benzyl-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-benzyl-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 CN(Cc1ccccc1)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2.
What is the InChIKey of N-benzyl-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 YCESGUYTXDDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3.
What are the key properties of N-benzyl-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-benzyl-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 411.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-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 71524637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).