2,3-dihydroxy-4-octadecoxybutanamide

C22H45NO4 — CID 172847060

IUPAC2,3-dihydroxy-4-octadecoxybutanamide
SMILESCCCCCCCCCCCCCCCCCCOCC(O)C(O)C(N)=O
InChIInChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-20(24)21(25)22(23)26/h20-21,24-25H,2-19H2,1H3,(H2,23,26)
InChIKeyXOIJEPARGKRKTP-UHFFFAOYSA-N
MW387.61 g/mol
LogP4.47
Rot. Bonds21

About 2,3-dihydroxy-4-octadecoxybutanamide

2,3-dihydroxy-4-octadecoxybutanamide (PubChem CID 172847060) has the molecular formula C22H45NO4 and a molecular weight of 387.61 g/mol. Its IUPAC name is 2,3-dihydroxy-4-octadecoxybutanamide.

Molecular Properties

Compound Name2,3-dihydroxy-4-octadecoxybutanamide
PubChem CID172847060
Molecular FormulaC22H45NO4
Molecular Weight387.61 g/mol
Exact Mass387.33
IUPAC Name2,3-dihydroxy-4-octadecoxybutanamide
SMILESCCCCCCCCCCCCCCCCCCOCC(O)C(O)C(N)=O
InChIInChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-20(24)21(25)22(23)26/h20-21,24-25H,2-19H2,1H3,(H2,23,26)
InChIKeyXOIJEPARGKRKTP-UHFFFAOYSA-N
XLogP4.47
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-4,5-dihydroxyhex-1-en-3-one
CID 174551719
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-pentoxyoctane-2,3-diol
CID 88758443
3-butoxy-2-chloropropanamide
CID 20565963
2-amino-3-decoxypropanoic acid
CID 134329186
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
(2S)-1-octoxypropan-2-ol
CID 55250295
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
1-tridecoxypropan-2-ol
CID 19798268
2-tridecoxyacetamide
CID 54483018
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
1-amino-3-heptoxypropan-2-ol
CID 43128013

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-octadecoxybutanamide?
The IUPAC name of 2,3-dihydroxy-4-octadecoxybutanamide (CID 172847060) is 2,3-dihydroxy-4-octadecoxybutanamide.
What is the SMILES notation for 2,3-dihydroxy-4-octadecoxybutanamide?
The canonical SMILES for 2,3-dihydroxy-4-octadecoxybutanamide is CCCCCCCCCCCCCCCCCCOCC(O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-4-octadecoxybutanamide?
The InChIKey is XOIJEPARGKRKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-20(24)21(25)22(23)26/h20-21,24-25H,2-19H2,1H3,(H2,23,26).
What are the key properties of 2,3-dihydroxy-4-octadecoxybutanamide?
2,3-dihydroxy-4-octadecoxybutanamide has a molecular weight of 387.61 g/mol, XLogP of 4.47, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-octadecoxybutanamide is sourced from PubChem (CID 172847060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).