2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide

C19H39NO4 — CID 19829240

IUPAC2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)C(C)(O)CO
InChIInChI=1S/C19H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18(23)17(22)19(2,24)16-21/h17,21-22,24H,3-16H2,1-2H3,(H,20,23)
InChIKeyCFBGEBKKORGKFR-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.91
Rot. Bonds16

About 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide

2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide (PubChem CID 19829240) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
PubChem CID19829240
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Name2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)C(C)(O)CO
InChIInChI=1S/C19H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18(23)17(22)19(2,24)16-21/h17,21-22,24H,3-16H2,1-2H3,(H,20,23)
InChIKeyCFBGEBKKORGKFR-UHFFFAOYSA-N
XLogP2.91
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
N-octadecyl-2-octylicosanamide
CID 154636535
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[[2-oxo-2-(pentylamino)ethyl]amino]propyl]butanamide
CID 90682631
1-butyl-3-octylurea
CID 17269600
2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide
CID 54521307
2-methyl-N-nonyldecanamide
CID 141429494
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
2-ethyl-N-undecylpentanamide
CID 160695439

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide?
The IUPAC name of 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide (CID 19829240) is 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide.
What is the SMILES notation for 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide?
The canonical SMILES for 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide is CCCCCCCCCCCCCCNC(=O)C(O)C(C)(O)CO.
What is the InChIKey of 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide?
The InChIKey is CFBGEBKKORGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18(23)17(22)19(2,24)16-21/h17,21-22,24H,3-16H2,1-2H3,(H,20,23).
What are the key properties of 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide?
2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide has a molecular weight of 345.52 g/mol, XLogP of 2.91, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide is sourced from PubChem (CID 19829240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).