3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide

C20H28N2O4 — CID 108965177

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
SMILESCCN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-22(16-8-6-5-7-9-16)18(24)19(2,3)17(23)21-12-10-20(11-13-21)25-14-15-26-20/h5-9H,4,10-15H2,1-3H3
InChIKeyKGRQTUKDQWKFJC-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.43
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide (PubChem CID 108965177) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
PubChem CID108965177
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
SMILESCCN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-22(16-8-6-5-7-9-16)18(24)19(2,3)17(23)21-12-10-20(11-13-21)25-14-15-26-20/h5-9H,4,10-15H2,1-3H3
InChIKeyKGRQTUKDQWKFJC-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2,3-diphenylpropan-1-one
CID 110299392
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(1-phenylethyl)propanamide
CID 108962125
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108965186
N-ethyl-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)-N-phenylpropanediamide
CID 108968361
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108964051
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropanamide
CID 108965229

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide (CID 108965177) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide is CCN(C(=O)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The InChIKey is KGRQTUKDQWKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-22(16-8-6-5-7-9-16)18(24)19(2,3)17(23)21-12-10-20(11-13-21)25-14-15-26-20/h5-9H,4,10-15H2,1-3H3.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide has a molecular weight of 360.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 108965177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).