N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide

C15H22N4O4 — CID 155964070

IUPACN-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESCC(C)C(CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1)ON
InChIInChI=1S/C15H22N4O4/c1-8(2)11(23-16)7-17-15(22)13(21)12(20)14-18-9-5-3-4-6-10(9)19-14/h3-6,8,11-13,20-21H,7,16H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyAQUBQVGWDCBYKK-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.01
Rot. Bonds7

About N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide

N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide (PubChem CID 155964070) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
PubChem CID155964070
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESCC(C)C(CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1)ON
InChIInChI=1S/C15H22N4O4/c1-8(2)11(23-16)7-17-15(22)13(21)12(20)14-18-9-5-3-4-6-10(9)19-14/h3-6,8,11-13,20-21H,7,16H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyAQUBQVGWDCBYKK-UHFFFAOYSA-N
XLogP-0.01
TPSA133.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337847
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The IUPAC name of N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide (CID 155964070) is N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide is CC(C)C(CNC(=O)C(O)C(O)c1nc2ccccc2[nH]1)ON.
What is the InChIKey of N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The InChIKey is AQUBQVGWDCBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-8(2)11(23-16)7-17-15(22)13(21)12(20)14-18-9-5-3-4-6-10(9)19-14/h3-6,8,11-13,20-21H,7,16H2,1-2H3,(H,17,22)(H,18,19).
What are the key properties of N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide has a molecular weight of 322.37 g/mol, XLogP of -0.01, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 155964070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).