3-amino-1,3-dihydroxynonadecan-4-one

C19H39NO3 — CID 175005169

IUPAC3-amino-1,3-dihydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)C(N)(O)CCO
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)19(20,23)16-17-21/h21,23H,2-17,20H2,1H3
InChIKeyQJUUINWKVHXHTM-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.07
Rot. Bonds17

About 3-amino-1,3-dihydroxynonadecan-4-one

3-amino-1,3-dihydroxynonadecan-4-one (PubChem CID 175005169) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 3-amino-1,3-dihydroxynonadecan-4-one.

Molecular Properties

Compound Name3-amino-1,3-dihydroxynonadecan-4-one
PubChem CID175005169
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name3-amino-1,3-dihydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)C(N)(O)CCO
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)19(20,23)16-17-21/h21,23H,2-17,20H2,1H3
InChIKeyQJUUINWKVHXHTM-UHFFFAOYSA-N
XLogP4.07
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
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'}

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Related Compounds

11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
3-amino-1-hydroxy-3-(2-hydroxyethyl)henicos-12-en-4-one;hydrochloride
CID 173062748
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
1,2-dihydroxy-2-(hydroxymethyl)hexacosan-3-one
CID 139653095
3-amino-3-methylhexadecan-4-one
CID 116590430
4-amino-4-hexadecanoyl-5-oxoicosanoic acid
CID 175586203
3-ethyl-3-hydroxydecan-4-one
CID 103446891
11-octanoyl-11-tridecyltricosane-10,12-dione
CID 141100179
3,3-diamino-4-oxononadecanoic acid
CID 118609165
1-amino-2-hydroxy-2-methyltetradecan-3-one
CID 141154227

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,3-dihydroxynonadecan-4-one?
The IUPAC name of 3-amino-1,3-dihydroxynonadecan-4-one (CID 175005169) is 3-amino-1,3-dihydroxynonadecan-4-one.
What is the SMILES notation for 3-amino-1,3-dihydroxynonadecan-4-one?
The canonical SMILES for 3-amino-1,3-dihydroxynonadecan-4-one is CCCCCCCCCCCCCCCC(=O)C(N)(O)CCO.
What is the InChIKey of 3-amino-1,3-dihydroxynonadecan-4-one?
The InChIKey is QJUUINWKVHXHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)19(20,23)16-17-21/h21,23H,2-17,20H2,1H3.
What are the key properties of 3-amino-1,3-dihydroxynonadecan-4-one?
3-amino-1,3-dihydroxynonadecan-4-one has a molecular weight of 329.53 g/mol, XLogP of 4.07, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,3-dihydroxynonadecan-4-one is sourced from PubChem (CID 175005169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).