3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one

C17H24N2O2 — CID 119813640

IUPAC3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCC2(CCOC2)C1)C(N)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(15(18)14-5-3-2-4-6-14)16(20)19-9-7-17(11-19)8-10-21-12-17/h2-6,13,15H,7-12,18H2,1H3
InChIKeyVWPOBHBISPNMRP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one

3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one (PubChem CID 119813640) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
PubChem CID119813640
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCC2(CCOC2)C1)C(N)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(15(18)14-5-3-2-4-6-14)16(20)19-9-7-17(11-19)8-10-21-12-17/h2-6,13,15H,7-12,18H2,1H3
InChIKeyVWPOBHBISPNMRP-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119789061
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
CID 119804296
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119900547

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one (CID 119813640) is 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one is CC(C(=O)N1CCC2(CCOC2)C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one?
The InChIKey is VWPOBHBISPNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(15(18)14-5-3-2-4-6-14)16(20)19-9-7-17(11-19)8-10-21-12-17/h2-6,13,15H,7-12,18H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one?
3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).