N'-hydroxy-N-(2-hydroxypropyl)butanediamide

C7H14N2O4 — CID 86244799

IUPACN'-hydroxy-N-(2-hydroxypropyl)butanediamide
SMILESCC(O)CNC(=O)CCC(=O)NO
InChIInChI=1S/C7H14N2O4/c1-5(10)4-8-6(11)2-3-7(12)9-13/h5,10,13H,2-4H2,1H3,(H,8,11)(H,9,12)
InChIKeyLBEVWVUNBYRSCE-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.23
Rot. Bonds5

About N'-hydroxy-N-(2-hydroxypropyl)butanediamide

N'-hydroxy-N-(2-hydroxypropyl)butanediamide (PubChem CID 86244799) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is N'-hydroxy-N-(2-hydroxypropyl)butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-hydroxypropyl)butanediamide
PubChem CID86244799
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC NameN'-hydroxy-N-(2-hydroxypropyl)butanediamide
SMILESCC(O)CNC(=O)CCC(=O)NO
InChIInChI=1S/C7H14N2O4/c1-5(10)4-8-6(11)2-3-7(12)9-13/h5,10,13H,2-4H2,1H3,(H,8,11)(H,9,12)
InChIKeyLBEVWVUNBYRSCE-UHFFFAOYSA-N
XLogP-1.23
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.23
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

N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-hydroxy-2-(2-hydroxypropylamino)acetamide
CID 142100619
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-hydroxypropyl)butanediamide?
The IUPAC name of N'-hydroxy-N-(2-hydroxypropyl)butanediamide (CID 86244799) is N'-hydroxy-N-(2-hydroxypropyl)butanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-hydroxypropyl)butanediamide?
The canonical SMILES for N'-hydroxy-N-(2-hydroxypropyl)butanediamide is CC(O)CNC(=O)CCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-(2-hydroxypropyl)butanediamide?
The InChIKey is LBEVWVUNBYRSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(10)4-8-6(11)2-3-7(12)9-13/h5,10,13H,2-4H2,1H3,(H,8,11)(H,9,12).
What are the key properties of N'-hydroxy-N-(2-hydroxypropyl)butanediamide?
N'-hydroxy-N-(2-hydroxypropyl)butanediamide has a molecular weight of 190.20 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-hydroxypropyl)butanediamide is sourced from PubChem (CID 86244799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).