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

C18H37NO4 — CID 5001510

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)19-18(14-20,15-21)16-22/h20-22H,2-16H2,1H3,(H,19,23)
InChIKeyMDVSNRUTLUQCHJ-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.52
Rot. Bonds16

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide (PubChem CID 5001510) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
PubChem CID5001510
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)19-18(14-20,15-21)16-22/h20-22H,2-16H2,1H3,(H,19,23)
InChIKeyMDVSNRUTLUQCHJ-UHFFFAOYSA-N
XLogP2.52
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.52
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 N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide (CID 5001510) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
The InChIKey is MDVSNRUTLUQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)19-18(14-20,15-21)16-22/h20-22H,2-16H2,1H3,(H,19,23).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide has a molecular weight of 331.50 g/mol, XLogP of 2.52, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide is sourced from PubChem (CID 5001510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).