N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C21H26N6O — CID 42244551

IUPACN-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-16(2)26(3)14-19-23-24-25-27(19)15-20(28)22-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3,(H,22,28)
InChIKeyZWFLKIPWGCQFQQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.42
Rot. Bonds8

About N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 42244551) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID42244551
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-16(2)26(3)14-19-23-24-25-27(19)15-20(28)22-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3,(H,22,28)
InChIKeyZWFLKIPWGCQFQQ-UHFFFAOYSA-N
XLogP2.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-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-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 42244551) is N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is ZWFLKIPWGCQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16(2)26(3)14-19-23-24-25-27(19)15-20(28)22-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,21H,14-15H2,1-3H3,(H,22,28).
What are the key properties of N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42244551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).