N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide

C25H49NO4 — CID 129305066

IUPACN-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1(CO)COC(C)(C)OC1
InChIInChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-25(20-27)21-29-24(2,3)30-22-25/h27H,4-22H2,1-3H3,(H,26,28)
InChIKeyNSXVGHOFIIBCEW-UHFFFAOYSA-N
MW427.67 g/mol
LogP5.88
Rot. Bonds18

About N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide

N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide (PubChem CID 129305066) has the molecular formula C25H49NO4 and a molecular weight of 427.67 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
PubChem CID129305066
Molecular FormulaC25H49NO4
Molecular Weight427.67 g/mol
Exact Mass427.37
IUPAC NameN-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1(CO)COC(C)(C)OC1
InChIInChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-25(20-27)21-29-24(2,3)30-22-25/h27H,4-22H2,1-3H3,(H,26,28)
InChIKeyNSXVGHOFIIBCEW-UHFFFAOYSA-N
XLogP5.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
1-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]amino]octadecan-1-ol
CID 137425834
[2-oxo-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)amino]ethyl] octadecanoate
CID 86719412
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
CID 18996056
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide?
The IUPAC name of N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide (CID 129305066) is N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1(CO)COC(C)(C)OC1.
What is the InChIKey of N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide?
The InChIKey is NSXVGHOFIIBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-25(20-27)21-29-24(2,3)30-22-25/h27H,4-22H2,1-3H3,(H,26,28).
What are the key properties of N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide?
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide has a molecular weight of 427.67 g/mol, XLogP of 5.88, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide is sourced from PubChem (CID 129305066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).