N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide

C16H30N2O2 — CID 115356121

IUPACN-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
SMILESCCOC1CC(NCC(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-5-20-13-10-12(16(13)8-6-7-9-16)17-11-14(19)18-15(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyUABPBRDZSCYCHF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds5

About N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide

N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide (PubChem CID 115356121) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
PubChem CID115356121
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
SMILESCCOC1CC(NCC(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-5-20-13-10-12(16(13)8-6-7-9-16)17-11-14(19)18-15(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyUABPBRDZSCYCHF-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115905391
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
CID 65108075
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 100674547
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide (CID 115356121) is N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide is CCOC1CC(NCC(=O)NC(C)(C)C)C12CCCC2.
What is the InChIKey of N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The InChIKey is UABPBRDZSCYCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-20-13-10-12(16(13)8-6-7-9-16)17-11-14(19)18-15(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide is sourced from PubChem (CID 115356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).