N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide

C20H38N2O2 — CID 22972623

IUPACN'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide
SMILESCC(C)(C)CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C20H38N2O2/c1-19(2,3)13-16(18(24)22-20(4,5)6)15(17(21)23)12-11-14-9-7-8-10-14/h14-16H,7-13H2,1-6H3,(H2,21,23)(H,22,24)
InChIKeyNZCGVUWFHOJWQL-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.03
Rot. Bonds7

About N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide

N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide (PubChem CID 22972623) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide
PubChem CID22972623
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide
SMILESCC(C)(C)CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C20H38N2O2/c1-19(2,3)13-16(18(24)22-20(4,5)6)15(17(21)23)12-11-14-9-7-8-10-14/h14-16H,7-13H2,1-6H3,(H2,21,23)(H,22,24)
InChIKeyNZCGVUWFHOJWQL-UHFFFAOYSA-N
XLogP4.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide 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'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide (CID 22972623) is N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide is CC(C)(C)CC(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide?
The InChIKey is NZCGVUWFHOJWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-19(2,3)13-16(18(24)22-20(4,5)6)15(17(21)23)12-11-14-9-7-8-10-14/h14-16H,7-13H2,1-6H3,(H2,21,23)(H,22,24).
What are the key properties of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide?
N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide has a molecular weight of 338.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(2,2-dimethylpropyl)butanediamide is sourced from PubChem (CID 22972623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).