N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide

C13H22N2O2 — CID 114825528

IUPACN-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)C1COC(C)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)8-15(6-4-5-14)13(16)12-7-11(3)17-9-12/h10-12H,4,6-9H2,1-3H3
InChIKeyYHQMWHKKROOPLO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.81
Rot. Bonds5

About N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide

N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide (PubChem CID 114825528) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
PubChem CID114825528
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)C1COC(C)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)8-15(6-4-5-14)13(16)12-7-11(3)17-9-12/h10-12H,4,6-9H2,1-3H3
InChIKeyYHQMWHKKROOPLO-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784530
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
N-(2-cyanoethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 60654495
6-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60661976
N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide
CID 114823158
N-(2-hydroxyethyl)-5-methyl-N-propan-2-yloxolane-3-carboxamide
CID 114826169
N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
CID 114823103
N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114825557
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60963195
N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
CID 114823097
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide (CID 114825528) is N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide is CC(C)CN(CCC#N)C(=O)C1COC(C)C1.
What is the InChIKey of N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide?
The InChIKey is YHQMWHKKROOPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)8-15(6-4-5-14)13(16)12-7-11(3)17-9-12/h10-12H,4,6-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide?
N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 114825528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).