ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide

C24H46F3N3O5 — CID 166157185

IUPACethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
SMILESCC.CC(C)C.CC(C)NC=O.COC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C
InChIInChI=1S/C12H17F3N2O2.C4H9NO.C4H10.C2H4O2.C2H6/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)5-3-6;1-4(2)3;1-4-2-3;1-2/h6-7,9H,4-5H2,1-3H3,(H,16,19);3-4H,1-2H3,(H,5,6);4H,1-3H3;2H,1H3;1-2H3/t6-,7?,9?;;;;/m1..../s1
InChIKeyPCSQHGAJCOAHNR-WNAKQDGCSA-N
MW513.64 g/mol
LogP3.79
Rot. Bonds5

About ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide

ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide (PubChem CID 166157185) has the molecular formula C24H46F3N3O5 and a molecular weight of 513.64 g/mol. Its IUPAC name is ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide.

Molecular Properties

Compound Nameethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
PubChem CID166157185
Molecular FormulaC24H46F3N3O5
Molecular Weight513.64 g/mol
Exact Mass513.34
IUPAC Nameethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
SMILESCC.CC(C)C.CC(C)NC=O.COC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C
InChIInChI=1S/C12H17F3N2O2.C4H9NO.C4H10.C2H4O2.C2H6/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)5-3-6;1-4(2)3;1-4-2-3;1-2/h6-7,9H,4-5H2,1-3H3,(H,16,19);3-4H,1-2H3,(H,5,6);4H,1-3H3;2H,1H3;1-2H3/t6-,7?,9?;;;;/m1..../s1
InChIKeyPCSQHGAJCOAHNR-WNAKQDGCSA-N
XLogP3.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,5S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156664
ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane
CID 166156787
N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
CID 166156897
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156919
methyl (2S)-2-[[(1R,2S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]propanoate
CID 166156944
methyl (2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-methylbutanoate
CID 166157116
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
CID 166157150
methyl (2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]propanoate
CID 166157277
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;formic acid;2-methylpropane;1,1,1-trifluoroethane
CID 166537821
N-[(2S)-1-[(1S,5R)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 167094336
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide
CID 167203414
N-hex-1-yn-3-ylformamide;2-methylpropane;propane;[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167480972

Frequently Asked Questions

What is the IUPAC name of ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The IUPAC name of ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide (CID 166157185) is ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide.
What is the SMILES notation for ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The canonical SMILES for ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide is CC.CC(C)C.CC(C)NC=O.COC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C.
What is the InChIKey of ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The InChIKey is PCSQHGAJCOAHNR-WNAKQDGCSA-N. The full InChI is InChI=1S/C12H17F3N2O2.C4H9NO.C4H10.C2H4O2.C2H6/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)5-3-6;1-4(2)3;1-4-2-3;1-2/h6-7,9H,4-5H2,1-3H3,(H,16,19);3-4H,1-2H3,(H,5,6);4H,1-3H3;2H,1H3;1-2H3/t6-,7?,9?;;;;/m1..../s1.
What are the key properties of ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide has a molecular weight of 513.64 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide is sourced from PubChem (CID 166157185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).