tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane

C55H88N8O6 — CID 143630419

About tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane

tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane (PubChem CID 143630419) has the molecular formula C55H88N8O6 and a molecular weight of 957.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane
• PubChem CID: 143630419
• Molecular Formula: C55H88N8O6
• Molecular Weight: 957.36 g/mol
• Exact Mass: 956.68
• IUPAC Name: tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane
• SMILES: CC.CC(C)C[C@@H](C(=O)N(C)CCCCc1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)cc3)cc2)[nH]1)N(C)C=O.CC(C)C[C@@H](C=O)N(C)C(=O)OC(C)(C)C.COC(C)(C)C
• InChI: InChI=1S/C36H47N7O2.C12H23NO3.C5H12O.C2H6/c1-25(2)21-33(43(5)24-44)36(45)42(4)19-7-6-10-34-37-22-30(39-34)28-15-11-26(12-16-28)27-13-17-29(18-14-27)31-23-38-35(40-31)32-9-8-20-41(32)3;1-9(2)7-10(8-14)13(6)11(15)16-12(3,4)5;1-5(2,3)6-4;1-2/h11-18,22-25,32-33H,6-10,19-21H2,1-5H3,(H,37,39)(H,38,40);8-10H,7H2,1-6H3;1-4H3;1-2H3/t32-,33-;10-;;/m00../s1
• InChIKey: YRJFWDBNKFWJQG-KKZRDPKZSA-N
• XLogP: 11.11
• TPSA: 157.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.36
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane?

The IUPAC name of tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane (CID 143630419) is tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane.

What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane?

The canonical SMILES for tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane is CC.CC(C)C[C@@H](C(=O)N(C)CCCCc1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)cc3)cc2)[nH]1)N(C)C=O.CC(C)C[C@@H](C=O)N(C)C(=O)OC(C)(C)C.COC(C)(C)C.

What is the InChIKey of tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane?

The InChIKey is YRJFWDBNKFWJQG-KKZRDPKZSA-N. The full InChI is InChI=1S/C36H47N7O2.C12H23NO3.C5H12O.C2H6/c1-25(2)21-33(43(5)24-44)36(45)42(4)19-7-6-10-34-37-22-30(39-34)28-15-11-26(12-16-28)27-13-17-29(18-14-27)31-23-38-35(40-31)32-9-8-20-41(32)3;1-9(2)7-10(8-14)13(6)11(15)16-12(3,4)5;1-5(2,3)6-4;1-2/h11-18,22-25,32-33H,6-10,19-21H2,1-5H3,(H,37,39)(H,38,40);8-10H,7H2,1-6H3;1-4H3;1-2H3/t32-,33-;10-;;/m00../s1.

What are the key properties of tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane?

tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane has a molecular weight of 957.36 g/mol, XLogP of 11.11, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;ethane;(2S)-2-[formyl(methyl)amino]-N,4-dimethyl-N-[4-[5-[4-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]butyl]pentanamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 143630419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).