1-(hydroxyamino)ethyl octadecanoate

C20H41NO3 — CID 175042232

IUPAC1-(hydroxyamino)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(C)NO
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)24-19(2)21-23/h19,21,23H,3-18H2,1-2H3
InChIKeyYDTQLZBRNUXARU-UHFFFAOYSA-N
MW343.55 g/mol
LogP6.12
Rot. Bonds18

About 1-(hydroxyamino)ethyl octadecanoate

1-(hydroxyamino)ethyl octadecanoate (PubChem CID 175042232) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 1-(hydroxyamino)ethyl octadecanoate.

Molecular Properties

Compound Name1-(hydroxyamino)ethyl octadecanoate
PubChem CID175042232
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name1-(hydroxyamino)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(C)NO
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)24-19(2)21-23/h19,21,23H,3-18H2,1-2H3
InChIKeyYDTQLZBRNUXARU-UHFFFAOYSA-N
XLogP6.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydrazinylethyl heptanoate
CID 172831790
1-(octadecylamino)ethyl octadecanoate
CID 174990474
propan-2-yl undecanoate
CID 3016538
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
1-hydroxyethyl hexadecanoate
CID 87454687
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
1-hydroxyethyl decanoate
CID 176884014
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
1-acetyloxyethyl hexadecanoate
CID 165389523
1-aminoethyl decanoate
CID 87547112
3-methylbutan-2-yl icosanoate
CID 58052123
[(2S)-3-methylbutan-2-yl] octanoate
CID 118411407

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)ethyl octadecanoate?
The IUPAC name of 1-(hydroxyamino)ethyl octadecanoate (CID 175042232) is 1-(hydroxyamino)ethyl octadecanoate.
What is the SMILES notation for 1-(hydroxyamino)ethyl octadecanoate?
The canonical SMILES for 1-(hydroxyamino)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC(C)NO.
What is the InChIKey of 1-(hydroxyamino)ethyl octadecanoate?
The InChIKey is YDTQLZBRNUXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)24-19(2)21-23/h19,21,23H,3-18H2,1-2H3.
What are the key properties of 1-(hydroxyamino)ethyl octadecanoate?
1-(hydroxyamino)ethyl octadecanoate has a molecular weight of 343.55 g/mol, XLogP of 6.12, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)ethyl octadecanoate is sourced from PubChem (CID 175042232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).