potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine

C54H79ClKN7O6S — CID 145127277

About potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine

potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine (PubChem CID 145127277) has the molecular formula C54H79ClKN7O6S and a molecular weight of 1028.89 g/mol. Its IUPAC name is potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine.

Molecular Properties

• Compound Name: potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine
• PubChem CID: 145127277
• Molecular Formula: C54H79ClKN7O6S
• Molecular Weight: 1028.89 g/mol
• Exact Mass: 1027.51
• IUPAC Name: potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine
• SMILES: CC(C)(C)C(C=O)NC(=O)COCCCCNc1ccc(C=O)cc1.CNC1C(C)(C)CC1(C)C.CO.COc1ccc(C#N)c(Cl)c1.Cc1ncsc1-c1ccc([C@H](C)[N-]C2CCCN2C)cc1.[K+]
• InChI: InChI=1S/C19H28N2O4.C17H22N3S.C9H19N.C8H6ClNO.CH4O.K/c1-19(2,3)17(13-23)21-18(24)14-25-11-5-4-10-20-16-8-6-15(12-22)7-9-16;1-12(19-16-5-4-10-20(16)3)14-6-8-15(9-7-14)17-13(2)18-11-21-17;1-8(2)6-9(3,4)7(8)10-5;1-11-7-3-2-6(5-10)8(9)4-7;1-2;/h6-9,12-13,17,20H,4-5,10-11,14H2,1-3H3,(H,21,24);6-9,11-12,16H,4-5,10H2,1-3H3;7,10H,6H2,1-5H3;2-4H,1H3;2H,1H3;/q;-1;;;;+1/t;12-,16?;;;;/m.0..../s1
• InChIKey: QGEVFHFLGBZDRC-QZZGYGKFSA-N
• XLogP: 7.91
• TPSA: 180.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.89
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine?

The IUPAC name of potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine (CID 145127277) is potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine.

What is the SMILES notation for potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine?

The canonical SMILES for potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine is CC(C)(C)C(C=O)NC(=O)COCCCCNc1ccc(C=O)cc1.CNC1C(C)(C)CC1(C)C.CO.COc1ccc(C#N)c(Cl)c1.Cc1ncsc1-c1ccc([C@H](C)[N-]C2CCCN2C)cc1.[K+].

What is the InChIKey of potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine?

The InChIKey is QGEVFHFLGBZDRC-QZZGYGKFSA-N. The full InChI is InChI=1S/C19H28N2O4.C17H22N3S.C9H19N.C8H6ClNO.CH4O.K/c1-19(2,3)17(13-23)21-18(24)14-25-11-5-4-10-20-16-8-6-15(12-22)7-9-16;1-12(19-16-5-4-10-20(16)3)14-6-8-15(9-7-14)17-13(2)18-11-21-17;1-8(2)6-9(3,4)7(8)10-5;1-11-7-3-2-6(5-10)8(9)4-7;1-2;/h6-9,12-13,17,20H,4-5,10-11,14H2,1-3H3,(H,21,24);6-9,11-12,16H,4-5,10H2,1-3H3;7,10H,6H2,1-5H3;2-4H,1H3;2H,1H3;/q;-1;;;;+1/t;12-,16?;;;;/m.0..../s1.

What are the key properties of potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine?

potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine has a molecular weight of 1028.89 g/mol, XLogP of 7.91, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-chloro-4-methoxybenzonitrile;N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[4-(4-formylanilino)butoxy]acetamide;methanol;(1-methylpyrrolidin-2-yl)-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]azanide;N,2,2,4,4-pentamethylcyclobutan-1-amine is sourced from PubChem (CID 145127277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).