4-(dioctylamino)-N-hydroxybutanamide

C20H42N2O2 — CID 166798471

IUPAC4-(dioctylamino)-N-hydroxybutanamide
SMILESCCCCCCCCN(CCCCCCCC)CCCC(=O)NO
InChIInChI=1S/C20H42N2O2/c1-3-5-7-9-11-13-17-22(19-15-16-20(23)21-24)18-14-12-10-8-6-4-2/h24H,3-19H2,1-2H3,(H,21,23)
InChIKeyINAVPKDFSUTYKE-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.30
Rot. Bonds18

About 4-(dioctylamino)-N-hydroxybutanamide

4-(dioctylamino)-N-hydroxybutanamide (PubChem CID 166798471) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 4-(dioctylamino)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(dioctylamino)-N-hydroxybutanamide
PubChem CID166798471
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC Name4-(dioctylamino)-N-hydroxybutanamide
SMILESCCCCCCCCN(CCCCCCCC)CCCC(=O)NO
InChIInChI=1S/C20H42N2O2/c1-3-5-7-9-11-13-17-22(19-15-16-20(23)21-24)18-14-12-10-8-6-4-2/h24H,3-19H2,1-2H3,(H,21,23)
InChIKeyINAVPKDFSUTYKE-UHFFFAOYSA-N
XLogP5.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxytridecanamide
CID 14122613
ethane;N-hydroxyheptanamide;molecular hydrogen
CID 143457866
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-(didodecylamino)butanoic acid
CID 101313875
methyl 4-(dihexylamino)butanoate
CID 142540666
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
potassium 4-[di(undecyl)amino]butanoate
CID 101313863
sodium 4-(dioctylamino)butanoate
CID 101313458
potassium 4-(dihexadecylamino)butanoate
CID 101313936
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of 4-(dioctylamino)-N-hydroxybutanamide?
The IUPAC name of 4-(dioctylamino)-N-hydroxybutanamide (CID 166798471) is 4-(dioctylamino)-N-hydroxybutanamide.
What is the SMILES notation for 4-(dioctylamino)-N-hydroxybutanamide?
The canonical SMILES for 4-(dioctylamino)-N-hydroxybutanamide is CCCCCCCCN(CCCCCCCC)CCCC(=O)NO.
What is the InChIKey of 4-(dioctylamino)-N-hydroxybutanamide?
The InChIKey is INAVPKDFSUTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O2/c1-3-5-7-9-11-13-17-22(19-15-16-20(23)21-24)18-14-12-10-8-6-4-2/h24H,3-19H2,1-2H3,(H,21,23).
What are the key properties of 4-(dioctylamino)-N-hydroxybutanamide?
4-(dioctylamino)-N-hydroxybutanamide has a molecular weight of 342.57 g/mol, XLogP of 5.30, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dioctylamino)-N-hydroxybutanamide is sourced from PubChem (CID 166798471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).