butan-1-ol;N'-hydroxybutanediamide

C8H18N2O4 — CID 174644880

IUPACbutan-1-ol;N'-hydroxybutanediamide
SMILESCCCCO.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C4H10O/c5-3(7)1-2-4(8)6-9;1-2-3-4-5/h9H,1-2H2,(H2,5,7)(H,6,8);5H,2-4H2,1H3
InChIKeyBHPHOGNZXXAFMH-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.46
Rot. Bonds5

About butan-1-ol;N'-hydroxybutanediamide

butan-1-ol;N'-hydroxybutanediamide (PubChem CID 174644880) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is butan-1-ol;N'-hydroxybutanediamide.

Molecular Properties

Compound Namebutan-1-ol;N'-hydroxybutanediamide
PubChem CID174644880
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Namebutan-1-ol;N'-hydroxybutanediamide
SMILESCCCCO.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C4H10O/c5-3(7)1-2-4(8)6-9;1-2-3-4-5/h9H,1-2H2,(H2,5,7)(H,6,8);5H,2-4H2,1H3
InChIKeyBHPHOGNZXXAFMH-UHFFFAOYSA-N
XLogP-0.46
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloroethane;N'-hydroxybutanediamide
CID 174689229
N'-hydroxybutanediamide;hydrofluoride
CID 174508828
ethanethioic S-acid;N'-hydroxybutanediamide
CID 174445258
ethane;N'-hydroxyoctanediamide
CID 144754010
N'-butylbutanediamide
CID 12550556
butan-1-ol;urea;hydrate
CID 172765702
N-hydroxytridecanamide
CID 14122613
N'-icosylbutanediamide
CID 175408923
N'-dodecylbutanediamide
CID 19973702
2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
CID 174878339
N,16-dihydroxyhexadecanamide
CID 87686064
ethanol;tridecanamide
CID 174935457

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N'-hydroxybutanediamide?
The IUPAC name of butan-1-ol;N'-hydroxybutanediamide (CID 174644880) is butan-1-ol;N'-hydroxybutanediamide.
What is the SMILES notation for butan-1-ol;N'-hydroxybutanediamide?
The canonical SMILES for butan-1-ol;N'-hydroxybutanediamide is CCCCO.NC(=O)CCC(=O)NO.
What is the InChIKey of butan-1-ol;N'-hydroxybutanediamide?
The InChIKey is BHPHOGNZXXAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C4H10O/c5-3(7)1-2-4(8)6-9;1-2-3-4-5/h9H,1-2H2,(H2,5,7)(H,6,8);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;N'-hydroxybutanediamide?
butan-1-ol;N'-hydroxybutanediamide has a molecular weight of 206.24 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N'-hydroxybutanediamide is sourced from PubChem (CID 174644880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).