N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide

C17H31NO4 — CID 18996056

IUPACN-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1(C)COC(=O)OC1
InChIInChI=1S/C17H31NO4/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-17(2)13-21-16(20)22-14-17/h3-14H2,1-2H3,(H,18,19)
InChIKeyXSBVUCDVSLFFDW-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.95
Rot. Bonds11

About N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide

N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide (PubChem CID 18996056) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
PubChem CID18996056
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC NameN-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1(C)COC(=O)OC1
InChIInChI=1S/C17H31NO4/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-17(2)13-21-16(20)22-14-17/h3-14H2,1-2H3,(H,18,19)
InChIKeyXSBVUCDVSLFFDW-UHFFFAOYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952
N-(3-methylpyrrolidin-3-yl)decanamide
CID 107422812
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066
[2-oxo-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)amino]ethyl] octadecanoate
CID 86719412
1,3-dioxolan-2-one;heptan-2-one
CID 160775913
N-(1-adamantyl)nonanamide
CID 4685611
N-chlorodocosanamide
CID 141032944
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
1,3-dioxolan-2-one;heptane
CID 174901470
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide?
The IUPAC name of N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide (CID 18996056) is N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide.
What is the SMILES notation for N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide?
The canonical SMILES for N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide is CCCCCCCCCCCC(=O)NC1(C)COC(=O)OC1.
What is the InChIKey of N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide?
The InChIKey is XSBVUCDVSLFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-17(2)13-21-16(20)22-14-17/h3-14H2,1-2H3,(H,18,19).
What are the key properties of N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide?
N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide has a molecular weight of 313.44 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide is sourced from PubChem (CID 18996056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).