2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide

C14H26N2O2 — CID 64864422

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC1CC(OCC)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-3-15-13(17)10-16-11-9-12(18-4-2)14(11)7-5-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyVRLYCRWUIVHUSM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide (PubChem CID 64864422) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
PubChem CID64864422
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC1CC(OCC)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-3-15-13(17)10-16-11-9-12(18-4-2)14(11)7-5-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyVRLYCRWUIVHUSM-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115905391
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 100674547
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-1,1-dimethylurea
CID 83117181
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide (CID 64864422) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide is CCNC(=O)CNC1CC(OCC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide?
The InChIKey is VRLYCRWUIVHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-15-13(17)10-16-11-9-12(18-4-2)14(11)7-5-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 64864422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).