3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H33N3O4 — CID 70708137

IUPAC3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C19H33N3O4/c1-20(16-6-3-2-4-7-16)10-5-11-22-15-19(26-18(22)25)8-12-21(13-9-19)17(24)14-23/h16,23H,2-15H2,1H3
InChIKeyOTASLGUNUALMTO-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.45
Rot. Bonds6

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70708137) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70708137
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1
InChIInChI=1S/C19H33N3O4/c1-20(16-6-3-2-4-7-16)10-5-11-22-15-19(26-18(22)25)8-12-21(13-9-19)17(24)14-23/h16,23H,2-15H2,1H3
InChIKeyOTASLGUNUALMTO-UHFFFAOYSA-N
XLogP1.45
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70708137) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OTASLGUNUALMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-20(16-6-3-2-4-7-16)10-5-11-22-15-19(26-18(22)25)8-12-21(13-9-19)17(24)14-23/h16,23H,2-15H2,1H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 367.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70708137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).