N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide

C15H27N3O2 — CID 86800249

IUPACN-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
SMILESCC(NC1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N
InChIInChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3
InChIKeyZMMMQSWIWSVSFZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.68
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide

N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide (PubChem CID 86800249) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
PubChem CID86800249
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
SMILESCC(NC1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N
InChIInChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3
InChIKeyZMMMQSWIWSVSFZ-UHFFFAOYSA-N
XLogP1.68
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide (CID 86800249) is N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide is CC(NC1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide?
The InChIKey is ZMMMQSWIWSVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide?
N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 86800249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).