2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one

C16H28N2O3 — CID 115906289

IUPAC2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCOC1CC(NC(C)C(=O)N2CCOCC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-3-21-14-11-13(16(14)5-4-6-16)17-12(2)15(19)18-7-9-20-10-8-18/h12-14,17H,3-11H2,1-2H3
InChIKeyUSCOZPOHXNOHEW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.17
Rot. Bonds5

About 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115906289) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID115906289
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCOC1CC(NC(C)C(=O)N2CCOCC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-3-21-14-11-13(16(14)5-4-6-16)17-12(2)15(19)18-7-9-20-10-8-18/h12-14,17H,3-11H2,1-2H3
InChIKeyUSCOZPOHXNOHEW-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

(2S)-2-[[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 99799998
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103742148
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexanoic acid
CID 122044815
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431
4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
CID 97232797
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 115906289) is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one is CCOC1CC(NC(C)C(=O)N2CCOCC2)C12CCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is USCOZPOHXNOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-21-14-11-13(16(14)5-4-6-16)17-12(2)15(19)18-7-9-20-10-8-18/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115906289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).