N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C19H28N2O5 — CID 51118872

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C19H28N2O5/c1-2-23-10-11-24-15-16-4-3-5-17(14-16)20-18(22)21-8-6-19(7-9-21)25-12-13-26-19/h3-5,14H,2,6-13,15H2,1H3,(H,20,22)
InChIKeyKUEFREUXKOIJPI-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 51118872) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID51118872
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C19H28N2O5/c1-2-23-10-11-24-15-16-4-3-5-17(14-16)20-18(22)21-8-6-19(7-9-21)25-12-13-26-19/h3-5,14H,2,6-13,15H2,1H3,(H,20,22)
InChIKeyKUEFREUXKOIJPI-UHFFFAOYSA-N
XLogP2.61
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 51118872) is N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CCOCCOCc1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is KUEFREUXKOIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-2-23-10-11-24-15-16-4-3-5-17(14-16)20-18(22)21-8-6-19(7-9-21)25-12-13-26-19/h3-5,14H,2,6-13,15H2,1H3,(H,20,22).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 51118872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).