N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

C21H30N2O4 — CID 45166208

IUPACN-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccccc3O)CC2)O1)C1CCCO1
InChIInChI=1S/C21H30N2O4/c24-18-5-2-1-4-16(18)15-23-11-9-21(10-12-23)8-7-17(27-21)14-22-20(25)19-6-3-13-26-19/h1-2,4-5,17,19,24H,3,6-15H2,(H,22,25)
InChIKeyZRKARFSFEWFNDF-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.20
Rot. Bonds5

About N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 45166208) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
PubChem CID45166208
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccccc3O)CC2)O1)C1CCCO1
InChIInChI=1S/C21H30N2O4/c24-18-5-2-1-4-16(18)15-23-11-9-21(10-12-23)8-7-17(27-21)14-22-20(25)19-6-3-13-26-19/h1-2,4-5,17,19,24H,3,6-15H2,(H,22,25)
InChIKeyZRKARFSFEWFNDF-UHFFFAOYSA-N
XLogP2.20
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (CID 45166208) is N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCC2(CCN(Cc3ccccc3O)CC2)O1)C1CCCO1.
What is the InChIKey of N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ZRKARFSFEWFNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-18-5-2-1-4-16(18)15-23-11-9-21(10-12-23)8-7-17(27-21)14-22-20(25)19-6-3-13-26-19/h1-2,4-5,17,19,24H,3,6-15H2,(H,22,25).
What are the key properties of N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(2-hydroxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).