6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide

C13H25NO4 — CID 86761418

IUPAC6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
SMILESCCC1(CCCCCC(=O)N(C)OC)OCCO1
InChIInChI=1S/C13H25NO4/c1-4-13(17-10-11-18-13)9-7-5-6-8-12(15)14(2)16-3/h4-11H2,1-3H3
InChIKeyUGWAKTJWOISLRM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds8

About 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide

6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide (PubChem CID 86761418) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide.

Molecular Properties

Compound Name6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
PubChem CID86761418
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
SMILESCCC1(CCCCCC(=O)N(C)OC)OCCO1
InChIInChI=1S/C13H25NO4/c1-4-13(17-10-11-18-13)9-7-5-6-8-12(15)14(2)16-3/h4-11H2,1-3H3
InChIKeyUGWAKTJWOISLRM-UHFFFAOYSA-N
XLogP2.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
2-(9-bromononyl)-2-ethyl-1,3-dioxolane
CID 10852234
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
CID 167660733
(2S)-7-(2-ethyl-1,3-dioxolan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 166729421
N-methoxy-N-methyl-4-oxononanamide
CID 121217701
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
N-methoxy-N-methylpropanamide
CID 11344007

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide?
The IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide (CID 86761418) is 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide.
What is the SMILES notation for 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide?
The canonical SMILES for 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide is CCC1(CCCCCC(=O)N(C)OC)OCCO1.
What is the InChIKey of 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide?
The InChIKey is UGWAKTJWOISLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-13(17-10-11-18-13)9-7-5-6-8-12(15)14(2)16-3/h4-11H2,1-3H3.
What are the key properties of 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide?
6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide has a molecular weight of 259.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide is sourced from PubChem (CID 86761418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).