N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide

C21H26N2O4 — CID 3900079

IUPACN-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide
SMILESCOc1ccc(NC(=O)CC(C)CC(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-15(11-20(24)22-14-16-7-5-4-6-8-16)12-21(25)23-18-10-9-17(26-2)13-19(18)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyTZFHWZYLQGCEJB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.38
Rot. Bonds9

About N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide

N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide (PubChem CID 3900079) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide
PubChem CID3900079
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide
SMILESCOc1ccc(NC(=O)CC(C)CC(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-15(11-20(24)22-14-16-7-5-4-6-8-16)12-21(25)23-18-10-9-17(26-2)13-19(18)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyTZFHWZYLQGCEJB-UHFFFAOYSA-N
XLogP3.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide 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-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide?
The IUPAC name of N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide (CID 3900079) is N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide.
What is the SMILES notation for N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide?
The canonical SMILES for N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide is COc1ccc(NC(=O)CC(C)CC(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide?
The InChIKey is TZFHWZYLQGCEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(11-20(24)22-14-16-7-5-4-6-8-16)12-21(25)23-18-10-9-17(26-2)13-19(18)27-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide?
N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide is sourced from PubChem (CID 3900079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).