N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide

C11H20ClNO2 — CID 63391038

IUPACN-butyl-N-(2-chloroethyl)oxolane-3-carboxamide
SMILESCCCCN(CCCl)C(=O)C1CCOC1
InChIInChI=1S/C11H20ClNO2/c1-2-3-6-13(7-5-12)11(14)10-4-8-15-9-10/h10H,2-9H2,1H3
InChIKeyMKYOGWHMEZBMCG-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds6

About N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide

N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide (PubChem CID 63391038) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)oxolane-3-carboxamide
PubChem CID63391038
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-butyl-N-(2-chloroethyl)oxolane-3-carboxamide
SMILESCCCCN(CCCl)C(=O)C1CCOC1
InChIInChI=1S/C11H20ClNO2/c1-2-3-6-13(7-5-12)11(14)10-4-8-15-9-10/h10H,2-9H2,1H3
InChIKeyMKYOGWHMEZBMCG-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-butyl-N-(2-chloroethyl)oxolane-3-carboxamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide (CID 63391038) is N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide is CCCCN(CCCl)C(=O)C1CCOC1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide?
The InChIKey is MKYOGWHMEZBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-3-6-13(7-5-12)11(14)10-4-8-15-9-10/h10H,2-9H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide?
N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 63391038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).