N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide

C15H26N2O3 — CID 91780543

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)C1CC=CC1
InChIInChI=1S/C15H26N2O3/c1-17(2)8-10-20-14-11-19-9-7-13(14)16-15(18)12-5-3-4-6-12/h3-4,12-14H,5-11H2,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyPDWFVLNYGNMZKY-ZIAGYGMSSA-N
MW282.38 g/mol
LogP0.80
Rot. Bonds6

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 91780543) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide
PubChem CID91780543
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)C1CC=CC1
InChIInChI=1S/C15H26N2O3/c1-17(2)8-10-20-14-11-19-9-7-13(14)16-15(18)12-5-3-4-6-12/h3-4,12-14H,5-11H2,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyPDWFVLNYGNMZKY-ZIAGYGMSSA-N
XLogP0.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide (CID 91780543) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)C1CC=CC1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is PDWFVLNYGNMZKY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(2)8-10-20-14-11-19-9-7-13(14)16-15(18)12-5-3-4-6-12/h3-4,12-14H,5-11H2,1-2H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 91780543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).