N'-(2-hydroxybutyl)oxamide

C6H12N2O3 — CID 175586464

IUPACN'-(2-hydroxybutyl)oxamide
SMILESCCC(O)CNC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-4(9)3-8-6(11)5(7)10/h4,9H,2-3H2,1H3,(H2,7,10)(H,8,11)
InChIKeyUBLGKOMDKOEVDN-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.64
Rot. Bonds3

About N'-(2-hydroxybutyl)oxamide

N'-(2-hydroxybutyl)oxamide (PubChem CID 175586464) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is N'-(2-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxybutyl)oxamide
PubChem CID175586464
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC NameN'-(2-hydroxybutyl)oxamide
SMILESCCC(O)CNC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-4(9)3-8-6(11)5(7)10/h4,9H,2-3H2,1H3,(H2,7,10)(H,8,11)
InChIKeyUBLGKOMDKOEVDN-UHFFFAOYSA-N
XLogP-1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
3-hydroxypentanamide;hydrochloride
CID 174591125
N-(2-hydroxybutyl)-3-iodoprop-2-ynamide
CID 139991382
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide
CID 163496869
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
(3S)-4-amino-3-hydroxybutanamide;(3R)-3-hydroxypentanamide
CID 161102604

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybutyl)oxamide?
The IUPAC name of N'-(2-hydroxybutyl)oxamide (CID 175586464) is N'-(2-hydroxybutyl)oxamide.
What is the SMILES notation for N'-(2-hydroxybutyl)oxamide?
The canonical SMILES for N'-(2-hydroxybutyl)oxamide is CCC(O)CNC(=O)C(N)=O.
What is the InChIKey of N'-(2-hydroxybutyl)oxamide?
The InChIKey is UBLGKOMDKOEVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-2-4(9)3-8-6(11)5(7)10/h4,9H,2-3H2,1H3,(H2,7,10)(H,8,11).
What are the key properties of N'-(2-hydroxybutyl)oxamide?
N'-(2-hydroxybutyl)oxamide has a molecular weight of 160.17 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybutyl)oxamide is sourced from PubChem (CID 175586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).