2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide

C13H26N2O2 — CID 56828375

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
SMILESCCCCN(CCO)CC(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-8-15(9-10-16)11-13(17)14-12-6-4-5-7-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyKDGGBRAAXFWCBH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide

2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide (PubChem CID 56828375) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
PubChem CID56828375
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
SMILESCCCCN(CCO)CC(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-8-15(9-10-16)11-13(17)14-12-6-4-5-7-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyKDGGBRAAXFWCBH-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide (CID 56828375) is 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide is CCCCN(CCO)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide?
The InChIKey is KDGGBRAAXFWCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-8-15(9-10-16)11-13(17)14-12-6-4-5-7-12/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide?
2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide is sourced from PubChem (CID 56828375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).