N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide

C18H26N2O3 — CID 71853262

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-22-11-12-23-16-5-3-15(4-6-16)13-19-17(21)20-10-9-18(14-20)7-2-8-18/h3-6H,2,7-14H2,1H3,(H,19,21)
InChIKeyNLEDMJVRGXDBKB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.80
Rot. Bonds6

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 71853262) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID71853262
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-22-11-12-23-16-5-3-15(4-6-16)13-19-17(21)20-10-9-18(14-20)7-2-8-18/h3-6H,2,7-14H2,1H3,(H,19,21)
InChIKeyNLEDMJVRGXDBKB-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide (CID 71853262) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide is COCCOc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is NLEDMJVRGXDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-11-12-23-16-5-3-15(4-6-16)13-19-17(21)20-10-9-18(14-20)7-2-8-18/h3-6H,2,7-14H2,1H3,(H,19,21).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 71853262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).