3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H30N2O4 — CID 70718560

IUPAC3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C21H30N2O4/c1-2-3-4-8-13-23-16-21(27-20(23)26)11-14-22(15-12-21)19(25)18(24)17-9-6-5-7-10-17/h5-7,9-10,18,24H,2-4,8,11-16H2,1H3/t18-/m1/s1
InChIKeyYKMOQZWVIIKJGK-GOSISDBHSA-N
MW374.48 g/mol
LogP3.11
Rot. Bonds7

About 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70718560) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70718560
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C21H30N2O4/c1-2-3-4-8-13-23-16-21(27-20(23)26)11-14-22(15-12-21)19(25)18(24)17-9-6-5-7-10-17/h5-7,9-10,18,24H,2-4,8,11-16H2,1H3/t18-/m1/s1
InChIKeyYKMOQZWVIIKJGK-GOSISDBHSA-N
XLogP3.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70718560) is 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCCCN1CC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)OC1=O.
What is the InChIKey of 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YKMOQZWVIIKJGK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-3-4-8-13-23-16-21(27-20(23)26)11-14-22(15-12-21)19(25)18(24)17-9-6-5-7-10-17/h5-7,9-10,18,24H,2-4,8,11-16H2,1H3/t18-/m1/s1.
What are the key properties of 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 374.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70718560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).