(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide

C13H25NO4 — CID 87466441

IUPAC(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide
SMILESCON(C)C(=O)[C@]1(C(C)C)OC(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)13(10(15)14(7)16-8)11(3,4)17-12(5,6)18-13/h9H,1-8H3/t13-/m0/s1
InChIKeyKPXQZLBEESZAQE-ZDUSSCGKSA-N
MW259.35 g/mol
LogP1.96
Rot. Bonds3

About (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide

(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide (PubChem CID 87466441) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide
PubChem CID87466441
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide
SMILESCON(C)C(=O)[C@]1(C(C)C)OC(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)13(10(15)14(7)16-8)11(3,4)17-12(5,6)18-13/h9H,1-8H3/t13-/m0/s1
InChIKeyKPXQZLBEESZAQE-ZDUSSCGKSA-N
XLogP1.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide?
The IUPAC name of (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide (CID 87466441) is (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide?
The canonical SMILES for (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide is CON(C)C(=O)[C@]1(C(C)C)OC(C)(C)OC1(C)C.
What is the InChIKey of (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide?
The InChIKey is KPXQZLBEESZAQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)13(10(15)14(7)16-8)11(3,4)17-12(5,6)18-13/h9H,1-8H3/t13-/m0/s1.
What are the key properties of (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide?
(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 87466441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).