N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C17H31N3O4 — CID 131942042

IUPACN-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCOCC(=O)N1CCOC2(CCN(C(=O)NC(C)(C)C)CC2)C1
InChIInChI=1S/C17H31N3O4/c1-5-23-12-14(21)20-10-11-24-17(13-20)6-8-19(9-7-17)15(22)18-16(2,3)4/h5-13H2,1-4H3,(H,18,22)
InChIKeyZEYQETTXBZNEAO-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.22
Rot. Bonds3

About N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 131942042) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID131942042
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC NameN-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCOCC(=O)N1CCOC2(CCN(C(=O)NC(C)(C)C)CC2)C1
InChIInChI=1S/C17H31N3O4/c1-5-23-12-14(21)20-10-11-24-17(13-20)6-8-19(9-7-17)15(22)18-16(2,3)4/h5-13H2,1-4H3,(H,18,22)
InChIKeyZEYQETTXBZNEAO-UHFFFAOYSA-N
XLogP1.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 131942042) is N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CCOCC(=O)N1CCOC2(CCN(C(=O)NC(C)(C)C)CC2)C1.
What is the InChIKey of N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is ZEYQETTXBZNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-5-23-12-14(21)20-10-11-24-17(13-20)6-8-19(9-7-17)15(22)18-16(2,3)4/h5-13H2,1-4H3,(H,18,22).
What are the key properties of N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-ethoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 131942042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).