5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide

C25H32N6O2 — CID 53321024

IUPAC5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)NCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C25H32N6O2/c1-17(2)14-30(15-18(3)4)25(33)22-11-19(5)10-21(12-22)24(32)26-13-20-8-6-7-9-23(20)31-16-27-28-29-31/h6-12,16-18H,13-15H2,1-5H3,(H,26,32)
InChIKeyZEFMCROMDNBSOE-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.65
Rot. Bonds9

About 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide

5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide (PubChem CID 53321024) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide
PubChem CID53321024
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)NCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C25H32N6O2/c1-17(2)14-30(15-18(3)4)25(33)22-11-19(5)10-21(12-22)24(32)26-13-20-8-6-7-9-23(20)31-16-27-28-29-31/h6-12,16-18H,13-15H2,1-5H3,(H,26,32)
InChIKeyZEFMCROMDNBSOE-UHFFFAOYSA-N
XLogP3.65
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide 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 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide (CID 53321024) is 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide is Cc1cc(C(=O)NCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is ZEFMCROMDNBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(2)14-30(15-18(3)4)25(33)22-11-19(5)10-21(12-22)24(32)26-13-20-8-6-7-9-23(20)31-16-27-28-29-31/h6-12,16-18H,13-15H2,1-5H3,(H,26,32).
What are the key properties of 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide?
5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-[[2-(tetrazol-1-yl)phenyl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 53321024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).