N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine

C30H49N5O4S — CID 142464595

About N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine

N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine (PubChem CID 142464595) has the molecular formula C30H49N5O4S and a molecular weight of 575.82 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine.

Molecular Properties

• Compound Name: N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine
• PubChem CID: 142464595
• Molecular Formula: C30H49N5O4S
• Molecular Weight: 575.82 g/mol
• Exact Mass: 575.35
• IUPAC Name: N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine
• SMILES: CC(C)(C)CNC=O.CCCCCCN.Cc1ncsc1-c1ccc(C(C)NC(=O)C2C[C@@H](O)CN2C=O)cc1
• InChI: InChI=1S/C18H21N3O3S.C6H13NO.C6H15N/c1-11(20-18(24)16-7-15(23)8-21(16)10-22)13-3-5-14(6-4-13)17-12(2)19-9-25-17;1-6(2,3)4-7-5-8;1-2-3-4-5-6-7/h3-6,9-11,15-16,23H,7-8H2,1-2H3,(H,20,24);5H,4H2,1-3H3,(H,7,8);2-7H2,1H3/t11?,15-,16?;;/m1../s1
• InChIKey: MKRRFYZIVJUPAR-GJMHDMQXSA-N
• XLogP: 4.19
• TPSA: 137.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.82
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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 N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine?

The IUPAC name of N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine (CID 142464595) is N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine.

What is the SMILES notation for N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine?

The canonical SMILES for N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine is CC(C)(C)CNC=O.CCCCCCN.Cc1ncsc1-c1ccc(C(C)NC(=O)C2C[C@@H](O)CN2C=O)cc1.

What is the InChIKey of N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine?

The InChIKey is MKRRFYZIVJUPAR-GJMHDMQXSA-N. The full InChI is InChI=1S/C18H21N3O3S.C6H13NO.C6H15N/c1-11(20-18(24)16-7-15(23)8-21(16)10-22)13-3-5-14(6-4-13)17-12(2)19-9-25-17;1-6(2,3)4-7-5-8;1-2-3-4-5-6-7/h3-6,9-11,15-16,23H,7-8H2,1-2H3,(H,20,24);5H,4H2,1-3H3,(H,7,8);2-7H2,1H3/t11?,15-,16?;;/m1../s1.

What are the key properties of N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine?

N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine has a molecular weight of 575.82 g/mol, XLogP of 4.19, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine is sourced from PubChem (CID 142464595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).