N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C14H24N2O3 — CID 75378981

IUPACN-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCOCC1CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(15-5-8-18-9-12-1-2-12)16-6-3-14(10-16)4-7-19-11-14/h12H,1-11H2,(H,15,17)
InChIKeyJGDBETWFGUWGTN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 75378981) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID75378981
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCOCC1CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(15-5-8-18-9-12-1-2-12)16-6-3-14(10-16)4-7-19-11-14/h12H,1-11H2,(H,15,17)
InChIKeyJGDBETWFGUWGTN-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.24
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-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 75378981) is N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCOCC1CC1)N1CCC2(CCOC2)C1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is JGDBETWFGUWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-5-8-18-9-12-1-2-12)16-6-3-14(10-16)4-7-19-11-14/h12H,1-11H2,(H,15,17).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 75378981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).