2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C13H26N2O3 — CID 60689519

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyRCHFAZRBRYPJIR-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.38
Rot. Bonds9

About 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 60689519) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID60689519
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyRCHFAZRBRYPJIR-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
CID 63646322
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113166068
3-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-prop-2-enylamino]propanoic acid
CID 82327265
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
CID 23625079

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 60689519) is 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is CCCCN(CCO)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RCHFAZRBRYPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 60689519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).