(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H34N2O3 — CID 97223182

IUPAC(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCCCOC1CCCCCC1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C19H34N2O3/c22-18(21-12-9-19(15-21)10-14-23-16-19)20-11-5-6-13-24-17-7-3-1-2-4-8-17/h17H,1-16H2,(H,20,22)/t19-/m0/s1
InChIKeyZJBRHVGVLWURIO-IBGZPJMESA-N
MW338.49 g/mol
LogP3.33
Rot. Bonds6

About (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97223182) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97223182
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCCCOC1CCCCCC1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C19H34N2O3/c22-18(21-12-9-19(15-21)10-14-23-16-19)20-11-5-6-13-24-17-7-3-1-2-4-8-17/h17H,1-16H2,(H,20,22)/t19-/m0/s1
InChIKeyZJBRHVGVLWURIO-IBGZPJMESA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.33
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 (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97223182) is (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCCCOC1CCCCCC1)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is ZJBRHVGVLWURIO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H34N2O3/c22-18(21-12-9-19(15-21)10-14-23-16-19)20-11-5-6-13-24-17-7-3-1-2-4-8-17/h17H,1-16H2,(H,20,22)/t19-/m0/s1.
What are the key properties of (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(4-cycloheptyloxybutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97223182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).