1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide

C25H42N4O5 — CID 167482337

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide
SMILESCC(CC(=O)N1CC2C(C1)C2(C)C)OC(C)(C)C.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O
InChIInChI=1S/C15H27NO2.C10H15N3O3/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16/h10-12H,7-9H2,1-6H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16)
InChIKeyGHGDUXVBQMUMOT-UHFFFAOYSA-N
MW478.63 g/mol
LogP1.34
Rot. Bonds8

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide (PubChem CID 167482337) has the molecular formula C25H42N4O5 and a molecular weight of 478.63 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide
PubChem CID167482337
Molecular FormulaC25H42N4O5
Molecular Weight478.63 g/mol
Exact Mass478.32
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide
SMILESCC(CC(=O)N1CC2C(C1)C2(C)C)OC(C)(C)C.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O
InChIInChI=1S/C15H27NO2.C10H15N3O3/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16/h10-12H,7-9H2,1-6H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16)
InChIKeyGHGDUXVBQMUMOT-UHFFFAOYSA-N
XLogP1.34
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide with MolForge

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Related Compounds

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-1-one
CID 167481429
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;formic acid;2-methylpropane
CID 167480982
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate
CID 167481717
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-3-(2-oxopyrrolidin-3-yl)propanamide;2-methylpropane
CID 166157226
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane
CID 167481665
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one;2,2,2-trifluoroacetamide
CID 167481779
(1R,2S,5S)-3-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-amino-1-oxo-3-[(7R)-6-oxo-5-azaspiro[3.4]octan-7-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481882
tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-1-amino-1-oxo-3-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]propan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-methoxy-3-methyl-1-oxobutan-2-yl]carbamate
CID 167481523
N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide;1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
CID 167482183
tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide
CID 167482040
1-[(1S,5R)-6,6-bis(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[(2-methylpropan-2-yl)oxy]butan-1-one
CID 167482056
methyl 3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 168753686

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide (CID 167482337) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide is CC(CC(=O)N1CC2C(C1)C2(C)C)OC(C)(C)C.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide?
The InChIKey is GHGDUXVBQMUMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C10H15N3O3/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16/h10-12H,7-9H2,1-6H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16).
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide has a molecular weight of 478.63 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide is sourced from PubChem (CID 167482337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).