N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C13H24ClNO3 — CID 65159289

IUPACN-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24ClNO3/c1-8-9(2)18-10(3)12(8)13(16)15(4)6-11(14)7-17-5/h8-12H,6-7H2,1-5H3
InChIKeyKHHDUZOCNGSDKK-UHFFFAOYSA-N
MW277.79 g/mol
LogP1.76
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65159289) has the molecular formula C13H24ClNO3 and a molecular weight of 277.79 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65159289
Molecular FormulaC13H24ClNO3
Molecular Weight277.79 g/mol
Exact Mass277.14
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24ClNO3/c1-8-9(2)18-10(3)12(8)13(16)15(4)6-11(14)7-17-5/h8-12H,6-7H2,1-5H3
InChIKeyKHHDUZOCNGSDKK-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65159289) is N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is COCC(Cl)CN(C)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is KHHDUZOCNGSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO3/c1-8-9(2)18-10(3)12(8)13(16)15(4)6-11(14)7-17-5/h8-12H,6-7H2,1-5H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 277.79 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65159289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).