3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C17H25N5O — CID 71854562

IUPAC3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)NCc1ncnn1C
InChIInChI=1S/C17H25N5O/c1-12-13(7-6-8-14(12)19-10-17(2,3)4)16(23)18-9-15-20-11-21-22(15)5/h6-8,11,19H,9-10H2,1-5H3,(H,18,23)
InChIKeyFSCRZDXSUKXVTK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.51
Rot. Bonds5

About 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 71854562) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID71854562
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)NCc1ncnn1C
InChIInChI=1S/C17H25N5O/c1-12-13(7-6-8-14(12)19-10-17(2,3)4)16(23)18-9-15-20-11-21-22(15)5/h6-8,11,19H,9-10H2,1-5H3,(H,18,23)
InChIKeyFSCRZDXSUKXVTK-UHFFFAOYSA-N
XLogP2.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide 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 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 71854562) is 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ncnn1C.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is FSCRZDXSUKXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-13(7-6-8-14(12)19-10-17(2,3)4)16(23)18-9-15-20-11-21-22(15)5/h6-8,11,19H,9-10H2,1-5H3,(H,18,23).
What are the key properties of 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71854562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).