5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide

C9H17NO4 — CID 91551639

IUPAC5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide
SMILESCNC(=O)C1(C)OC(C)(C)OC1OC
InChIInChI=1S/C9H17NO4/c1-8(2)13-7(12-5)9(3,14-8)6(11)10-4/h7H,1-5H3,(H,10,11)
InChIKeyYEZFIMTWALRNGJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds2

About 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide

5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide (PubChem CID 91551639) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide
PubChem CID91551639
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide
SMILESCNC(=O)C1(C)OC(C)(C)OC1OC
InChIInChI=1S/C9H17NO4/c1-8(2)13-7(12-5)9(3,14-8)6(11)10-4/h7H,1-5H3,(H,10,11)
InChIKeyYEZFIMTWALRNGJ-UHFFFAOYSA-N
XLogP0.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide?
The IUPAC name of 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide (CID 91551639) is 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide?
The canonical SMILES for 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide is CNC(=O)C1(C)OC(C)(C)OC1OC.
What is the InChIKey of 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide?
The InChIKey is YEZFIMTWALRNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2)13-7(12-5)9(3,14-8)6(11)10-4/h7H,1-5H3,(H,10,11).
What are the key properties of 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide?
5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 91551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).