(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide

C17H32N2O2 — CID 67582253

IUPAC(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide
SMILESCCNC(=O)C(C(CCC1CCCC1)C(N)=O)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-5-19-16(21)14(17(2,3)4)13(15(18)20)11-10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeyGEJGRGLSXYUEFV-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.86
Rot. Bonds7

About (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide

(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide (PubChem CID 67582253) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide.

Molecular Properties

Compound Name(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide
PubChem CID67582253
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide
SMILESCCNC(=O)C(C(CCC1CCCC1)C(N)=O)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-5-19-16(21)14(17(2,3)4)13(15(18)20)11-10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeyGEJGRGLSXYUEFV-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide?
The IUPAC name of (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide (CID 67582253) is (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide.
What is the SMILES notation for (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide?
The canonical SMILES for (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide is CCNC(=O)C(C(CCC1CCCC1)C(N)=O)C(C)(C)C.
What is the InChIKey of (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide?
The InChIKey is GEJGRGLSXYUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-19-16(21)14(17(2,3)4)13(15(18)20)11-10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3,(H2,18,20)(H,19,21).
What are the key properties of (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide?
(2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide has a molecular weight of 296.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-tert-butyl-2-(2-cyclopentylethyl)-N'-ethylbutanediamide is sourced from PubChem (CID 67582253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).