N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide

C11H20ClNO2 — CID 114823097

IUPACN-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCl)C(=O)C1COC(C)C1
InChIInChI=1S/C11H20ClNO2/c1-3-5-13(6-4-12)11(14)10-7-9(2)15-8-10/h9-10H,3-8H2,1-2H3
InChIKeyBYOKLVNJEGLRNR-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds5

About N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide

N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide (PubChem CID 114823097) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
PubChem CID114823097
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCl)C(=O)C1COC(C)C1
InChIInChI=1S/C11H20ClNO2/c1-3-5-13(6-4-12)11(14)10-7-9(2)15-8-10/h9-10H,3-8H2,1-2H3
InChIKeyBYOKLVNJEGLRNR-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide
CID 114826446
N-(2-bromoethyl)-N-butyl-5-methyloxolane-3-carboxamide
CID 114823135
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
CID 114823373
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
N-(2-hydroxyethyl)-5-methyl-N-propan-2-yloxolane-3-carboxamide
CID 114826169
N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide
CID 114823379
N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894183
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 114825528
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826170
N-cyclohexyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826187

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide (CID 114823097) is N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide is CCCN(CCCl)C(=O)C1COC(C)C1.
What is the InChIKey of N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide?
The InChIKey is BYOKLVNJEGLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-3-5-13(6-4-12)11(14)10-7-9(2)15-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide?
N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 114823097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).