2,3-dihydroxy-N-tetradecylpropanamide

C17H35NO3 — CID 172845175

IUPAC2,3-dihydroxy-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)CO
InChIInChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(21)16(20)15-19/h16,19-20H,2-15H2,1H3,(H,18,21)
InChIKeyXHYSCTQISGSQMW-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.16
Rot. Bonds15

About 2,3-dihydroxy-N-tetradecylpropanamide

2,3-dihydroxy-N-tetradecylpropanamide (PubChem CID 172845175) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2,3-dihydroxy-N-tetradecylpropanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-tetradecylpropanamide
PubChem CID172845175
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2,3-dihydroxy-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)CO
InChIInChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(21)16(20)15-19/h16,19-20H,2-15H2,1H3,(H,18,21)
InChIKeyXHYSCTQISGSQMW-UHFFFAOYSA-N
XLogP3.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644819
2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
CID 19829240
2-hydroxy-N-octadec-9-enyloctadecanamide
CID 173109988
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
3-[3-[bis(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 177295772
3-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]-N-decyl-2-hydroxypropanamide
CID 177295729
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644700
N-octadecyl-2-octylicosanamide
CID 154636535
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-tetradecylpropanamide?
The IUPAC name of 2,3-dihydroxy-N-tetradecylpropanamide (CID 172845175) is 2,3-dihydroxy-N-tetradecylpropanamide.
What is the SMILES notation for 2,3-dihydroxy-N-tetradecylpropanamide?
The canonical SMILES for 2,3-dihydroxy-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-N-tetradecylpropanamide?
The InChIKey is XHYSCTQISGSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(21)16(20)15-19/h16,19-20H,2-15H2,1H3,(H,18,21).
What are the key properties of 2,3-dihydroxy-N-tetradecylpropanamide?
2,3-dihydroxy-N-tetradecylpropanamide has a molecular weight of 301.47 g/mol, XLogP of 3.16, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-tetradecylpropanamide is sourced from PubChem (CID 172845175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).