2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide

C16H30N2O3 — CID 115905391

IUPAC2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCOC1CC(NCC(=O)NCCOC)C12CCCCC2
InChIInChI=1S/C16H30N2O3/c1-3-21-14-11-13(16(14)7-5-4-6-8-16)18-12-15(19)17-9-10-20-2/h13-14,18H,3-12H2,1-2H3,(H,17,19)
InChIKeyLJEOKFPGLGDTJW-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.47
Rot. Bonds8

About 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115905391) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID115905391
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCOC1CC(NCC(=O)NCCOC)C12CCCCC2
InChIInChI=1S/C16H30N2O3/c1-3-21-14-11-13(16(14)7-5-4-6-8-16)18-12-15(19)17-9-10-20-2/h13-14,18H,3-12H2,1-2H3,(H,17,19)
InChIKeyLJEOKFPGLGDTJW-UHFFFAOYSA-N
XLogP1.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 100674547
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
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
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide (CID 115905391) is 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide is CCOC1CC(NCC(=O)NCCOC)C12CCCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is LJEOKFPGLGDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-21-14-11-13(16(14)7-5-4-6-8-16)18-12-15(19)17-9-10-20-2/h13-14,18H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115905391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).