N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide

C13H22N2O3 — CID 113230347

IUPACN-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCN(CCCCCO)CC(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-15(7-3-2-4-8-16)11-13(17)14-10-12-6-5-9-18-12/h5-6,9,16H,2-4,7-8,10-11H2,1H3,(H,14,17)
InChIKeyWZTKSAYAOVLGCW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.99
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide

N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide (PubChem CID 113230347) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
PubChem CID113230347
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCN(CCCCCO)CC(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-15(7-3-2-4-8-16)11-13(17)14-10-12-6-5-9-18-12/h5-6,9,16H,2-4,7-8,10-11H2,1H3,(H,14,17)
InChIKeyWZTKSAYAOVLGCW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107203780
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide
CID 111035912
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide (CID 113230347) is N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide is CN(CCCCCO)CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The InChIKey is WZTKSAYAOVLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(7-3-2-4-8-16)11-13(17)14-10-12-6-5-9-18-12/h5-6,9,16H,2-4,7-8,10-11H2,1H3,(H,14,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]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 N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide is sourced from PubChem (CID 113230347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).