[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate

C22H38N4O4 — CID 23589409

IUPAC[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C(C)(C)C)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C22H38N4O4/c1-7-25-9-8-22(15-23,16-25)24-18(27)17(14-21(5,6)20(2,3)4)30-19(28)26-10-12-29-13-11-26/h17H,7-14,16H2,1-6H3,(H,24,27)
InChIKeyQUDUJTGSCNDJOS-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.39
Rot. Bonds6

About [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate

[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate (PubChem CID 23589409) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate
PubChem CID23589409
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C(C)(C)C)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C22H38N4O4/c1-7-25-9-8-22(15-23,16-25)24-18(27)17(14-21(5,6)20(2,3)4)30-19(28)26-10-12-29-13-11-26/h17H,7-14,16H2,1-6H3,(H,24,27)
InChIKeyQUDUJTGSCNDJOS-UHFFFAOYSA-N
XLogP2.39
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate (CID 23589409) is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate is CCN1CCC(C#N)(NC(=O)C(CC(C)(C)C(C)(C)C)OC(=O)N2CCOCC2)C1.
What is the InChIKey of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate?
The InChIKey is QUDUJTGSCNDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O4/c1-7-25-9-8-22(15-23,16-25)24-18(27)17(14-21(5,6)20(2,3)4)30-19(28)26-10-12-29-13-11-26/h17H,7-14,16H2,1-6H3,(H,24,27).
What are the key properties of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate?
[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate has a molecular weight of 422.57 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 23589409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).