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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Related Compounds

N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475500
2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764609
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856
N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
CID 131906371
2-ethoxy-1-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155826189

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).