2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide

C28H57NO4 — CID 23362676

IUPAC2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C28H57NO4/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)27(33)29-28(23-30,24-31)25-32/h26,30-32H,3-25H2,1-2H3,(H,29,33)
InChIKeyZMXJEYAYACRWFS-UHFFFAOYSA-N
MW471.77 g/mol
LogP6.28
Rot. Bonds25

About 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide

2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide (PubChem CID 23362676) has the molecular formula C28H57NO4 and a molecular weight of 471.77 g/mol. Its IUPAC name is 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide.

Molecular Properties

Compound Name2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
PubChem CID23362676
Molecular FormulaC28H57NO4
Molecular Weight471.77 g/mol
Exact Mass471.43
IUPAC Name2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C28H57NO4/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)27(33)29-28(23-30,24-31)25-32/h26,30-32H,3-25H2,1-2H3,(H,29,33)
InChIKeyZMXJEYAYACRWFS-UHFFFAOYSA-N
XLogP6.28
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 56.28
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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Frequently Asked Questions

What is the IUPAC name of 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The IUPAC name of 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide (CID 23362676) is 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide.
What is the SMILES notation for 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The canonical SMILES for 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide is CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The InChIKey is ZMXJEYAYACRWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO4/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)27(33)29-28(23-30,24-31)25-32/h26,30-32H,3-25H2,1-2H3,(H,29,33).
What are the key properties of 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide has a molecular weight of 471.77 g/mol, XLogP of 6.28, 25 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide is sourced from PubChem (CID 23362676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).