N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C20H30N2O4 — CID 91918135

IUPACN-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)NCc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O4/c1-24-13-14-25-18-7-12-26-20(15-18)8-10-22(11-9-20)19(23)21-16-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23)
InChIKeyDXAVFAXXHPKJAS-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.57
Rot. Bonds6

About N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91918135) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91918135
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)NCc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O4/c1-24-13-14-25-18-7-12-26-20(15-18)8-10-22(11-9-20)19(23)21-16-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23)
InChIKeyDXAVFAXXHPKJAS-UHFFFAOYSA-N
XLogP2.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.57
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 N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91918135) is N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COCCOC1CCOC2(CCN(C(=O)NCc3ccccc3)CC2)C1.
What is the InChIKey of N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DXAVFAXXHPKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-24-13-14-25-18-7-12-26-20(15-18)8-10-22(11-9-20)19(23)21-16-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23).
What are the key properties of N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91918135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).