N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide

C11H20ClNO2 — CID 114823383

IUPACN-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)C(C)CCl)CO1
InChIInChI=1S/C11H20ClNO2/c1-7(5-12)9(3)13-11(14)10-4-8(2)15-6-10/h7-10H,4-6H2,1-3H3,(H,13,14)
InChIKeyJGDBYUGUGBFQCP-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.79
Rot. Bonds4

About N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide

N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114823383) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
PubChem CID114823383
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)C(C)CCl)CO1
InChIInChI=1S/C11H20ClNO2/c1-7(5-12)9(3)13-11(14)10-4-8(2)15-6-10/h7-10H,4-6H2,1-3H3,(H,13,14)
InChIKeyJGDBYUGUGBFQCP-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (CID 114823383) is N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(C)C(C)CCl)CO1.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is JGDBYUGUGBFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-7(5-12)9(3)13-11(14)10-4-8(2)15-6-10/h7-10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).