N-butyl-2-hydroxyacetamide

C6H13NO2 — CID 22238942

IUPACN-butyl-2-hydroxyacetamide
SMILESCCCCNC(=O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-4-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyWFYNRXPMFUYIDC-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.10
Rot. Bonds4

About N-butyl-2-hydroxyacetamide

N-butyl-2-hydroxyacetamide (PubChem CID 22238942) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-butyl-2-hydroxyacetamide.

Molecular Properties

Compound NameN-butyl-2-hydroxyacetamide
PubChem CID22238942
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-butyl-2-hydroxyacetamide
SMILESCCCCNC(=O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-4-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyWFYNRXPMFUYIDC-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 95457
CID 95457
CID 8880
CID 8880
CID 87536
CID 87536
CID 94967
CID 94967
CID 95456
CID 95456
CID 24284832
CID 24284832
CID 252506
CID 252506
CID 15074197
CID 15074197
CID 221331
CID 221331
CID 12497724
CID 12497724
CID 15561463
CID 15561463
CID 15881135
CID 15881135

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxyacetamide?
The IUPAC name of N-butyl-2-hydroxyacetamide (CID 22238942) is N-butyl-2-hydroxyacetamide.
What is the SMILES notation for N-butyl-2-hydroxyacetamide?
The canonical SMILES for N-butyl-2-hydroxyacetamide is CCCCNC(=O)CO.
What is the InChIKey of N-butyl-2-hydroxyacetamide?
The InChIKey is WFYNRXPMFUYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-butyl-2-hydroxyacetamide?
N-butyl-2-hydroxyacetamide has a molecular weight of 131.17 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxyacetamide is sourced from PubChem (CID 22238942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).