N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide

C16H28N2O2 — CID 119335892

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CCCN2)C12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-11-13(16(14)8-4-3-5-9-16)18-15(19)12-7-6-10-17-12/h12-14,17H,2-11H2,1H3,(H,18,19)
InChIKeyQOZMSVHAYVLAPE-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.98
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide (PubChem CID 119335892) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
PubChem CID119335892
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CCCN2)C12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-11-13(16(14)8-4-3-5-9-16)18-15(19)12-7-6-10-17-12/h12-14,17H,2-11H2,1H3,(H,18,19)
InChIKeyQOZMSVHAYVLAPE-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
(2R)-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrrolidine-2-carboxamide
CID 113264272
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119334927
(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935270
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
N-(3-ethoxyspiro[3.5]nonan-1-yl)morpholine-2-carboxamide
CID 119805201
(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
CID 120934010
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939918
N-(3-ethoxyspiro[3.3]heptan-1-yl)morpholine-2-carboxamide
CID 119803513

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide (CID 119335892) is N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide is CCOC1CC(NC(=O)C2CCCN2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is QOZMSVHAYVLAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-14-11-13(16(14)8-4-3-5-9-16)18-15(19)12-7-6-10-17-12/h12-14,17H,2-11H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119335892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).