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

C13H22N2O3 — CID 60689402

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h4-5,9,16H,2-3,6-8,10-11H2,1H3,(H,14,17)
InChIKeyCNRYIOSPSMNOMI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.99
Rot. Bonds9

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

2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 60689402) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID60689402
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h4-5,9,16H,2-3,6-8,10-11H2,1H3,(H,14,17)
InChIKeyCNRYIOSPSMNOMI-UHFFFAOYSA-N
XLogP0.99
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 113230347
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
1-[2-(dibutylamino)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 3488744
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111158100
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 60689402) is 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide is CCCCN(CCO)CC(=O)NCc1ccco1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CNRYIOSPSMNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-6-15(7-8-16)11-13(17)14-10-12-5-4-9-18-12/h4-5,9,16H,2-3,6-8,10-11H2,1H3,(H,14,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.99, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60689402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).