N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide

C13H24N2O2 — CID 119794737

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
SMILESCCOC1CC(NC(=O)CNC)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-12(16)9-14-2)13(11)6-4-5-7-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyYJGYQXDQQGKQSY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds5

About N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide (PubChem CID 119794737) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
PubChem CID119794737
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
SMILESCCOC1CC(NC(=O)CNC)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-12(16)9-14-2)13(11)6-4-5-7-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyYJGYQXDQQGKQSY-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide (CID 119794737) is N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide is CCOC1CC(NC(=O)CNC)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide?
The InChIKey is YJGYQXDQQGKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-12(16)9-14-2)13(11)6-4-5-7-13/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 119794737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).