N'-butyl-2-hydroxybutanediamide

C8H16N2O3 — CID 88532748

IUPACN'-butyl-2-hydroxybutanediamide
SMILESCCCCNC(=O)CC(O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-3-4-10-7(12)5-6(11)8(9)13/h6,11H,2-5H2,1H3,(H2,9,13)(H,10,12)
InChIKeyYABQLXRGHWTVOW-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.86
Rot. Bonds6

About N'-butyl-2-hydroxybutanediamide

N'-butyl-2-hydroxybutanediamide (PubChem CID 88532748) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-butyl-2-hydroxybutanediamide.

Molecular Properties

Compound NameN'-butyl-2-hydroxybutanediamide
PubChem CID88532748
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN'-butyl-2-hydroxybutanediamide
SMILESCCCCNC(=O)CC(O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-3-4-10-7(12)5-6(11)8(9)13/h6,11H,2-5H2,1H3,(H2,9,13)(H,10,12)
InChIKeyYABQLXRGHWTVOW-UHFFFAOYSA-N
XLogP-0.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-butylpentanamide
CID 81071551
N-butyl-3,3-dimethoxypropanamide
CID 138705714
N'-butylbutanediamide
CID 12550556
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
(2S)-N'-butyl-2-(butylamino)pentanediamide
CID 102108641
N-(3-aminopropyl)-3-hydroxytetradecanamide
CID 139771508
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butyl-2-(carbamothioylamino)acetamide
CID 86103798
(2S)-2-amino-4-(octylamino)-4-oxobutanoic acid
CID 167206588
N-butyl-3-oxobutanamide
CID 5161533
N-butyl-3,3-bis(diethoxyphosphoryl)propanamide
CID 19689044

Frequently Asked Questions

What is the IUPAC name of N'-butyl-2-hydroxybutanediamide?
The IUPAC name of N'-butyl-2-hydroxybutanediamide (CID 88532748) is N'-butyl-2-hydroxybutanediamide.
What is the SMILES notation for N'-butyl-2-hydroxybutanediamide?
The canonical SMILES for N'-butyl-2-hydroxybutanediamide is CCCCNC(=O)CC(O)C(N)=O.
What is the InChIKey of N'-butyl-2-hydroxybutanediamide?
The InChIKey is YABQLXRGHWTVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-3-4-10-7(12)5-6(11)8(9)13/h6,11H,2-5H2,1H3,(H2,9,13)(H,10,12).
What are the key properties of N'-butyl-2-hydroxybutanediamide?
N'-butyl-2-hydroxybutanediamide has a molecular weight of 188.23 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2-hydroxybutanediamide is sourced from PubChem (CID 88532748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).