N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide

C22H28N2O2 — CID 2981419

IUPACN-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CNC(=O)C(=O)NC(C)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(15-20-11-7-4-8-12-20)16-23-21(25)22(26)24-18(2)13-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBODHZGZCCUOVCL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.12
Rot. Bonds8

About N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide

N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide (PubChem CID 2981419) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide
PubChem CID2981419
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CNC(=O)C(=O)NC(C)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(15-20-11-7-4-8-12-20)16-23-21(25)22(26)24-18(2)13-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBODHZGZCCUOVCL-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide 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-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide (CID 2981419) is N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide is CC(CNC(=O)C(=O)NC(C)CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide?
The InChIKey is BODHZGZCCUOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(15-20-11-7-4-8-12-20)16-23-21(25)22(26)24-18(2)13-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide?
N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide has a molecular weight of 352.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)-N'-(4-phenylbutan-2-yl)oxamide is sourced from PubChem (CID 2981419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).