N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide

C11H20ClNO2 — CID 114823379

IUPACN-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)C(C)(C)CCl)CO1
InChIInChI=1S/C11H20ClNO2/c1-8-5-9(6-15-8)10(14)13(4)11(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyUASGPZNZDKFOGR-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide (PubChem CID 114823379) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide
PubChem CID114823379
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)C(C)(C)CCl)CO1
InChIInChI=1S/C11H20ClNO2/c1-8-5-9(6-15-8)10(14)13(4)11(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyUASGPZNZDKFOGR-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide (CID 114823379) is N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide is CC1CC(C(=O)N(C)C(C)(C)CCl)CO1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide?
The InChIKey is UASGPZNZDKFOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8-5-9(6-15-8)10(14)13(4)11(2,3)7-12/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 114823379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).