tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen

C36H52N4O8 — CID 143500143

About tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen

tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 143500143) has the molecular formula C36H52N4O8 and a molecular weight of 668.83 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen
• PubChem CID: 143500143
• Molecular Formula: C36H52N4O8
• Molecular Weight: 668.83 g/mol
• Exact Mass: 668.38
• IUPAC Name: tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen
• SMILES: CCN(C(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)cccc2OC)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2.[H][H]
• InChI: InChI=1S/C36H50N4O8.H2/c1-10-39(26-15-16-28-27(20-26)40(17-12-18-45-8)33(43)36(6,7)47-28)32(42)25-19-24(21-38(22-25)34(44)48-35(3,4)5)31(41)37-30-23(2)13-11-14-29(30)46-9;/h11,13-16,20,24-25H,10,12,17-19,21-22H2,1-9H3,(H,37,41);1H/t24-,25+;/m0./s1
• InChIKey: GWHGACYPMRRHFZ-CLSOAGJSSA-N
• XLogP: 5.65
• TPSA: 126.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.83
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen?

The IUPAC name of tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen (CID 143500143) is tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen.

What is the SMILES notation for tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen?

The canonical SMILES for tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen is CCN(C(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)cccc2OC)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2.[H][H].

What is the InChIKey of tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen?

The InChIKey is GWHGACYPMRRHFZ-CLSOAGJSSA-N. The full InChI is InChI=1S/C36H50N4O8.H2/c1-10-39(26-15-16-28-27(20-26)40(17-12-18-45-8)33(43)36(6,7)47-28)32(42)25-19-24(21-38(22-25)34(44)48-35(3,4)5)31(41)37-30-23(2)13-11-14-29(30)46-9;/h11,13-16,20,24-25H,10,12,17-19,21-22H2,1-9H3,(H,37,41);1H/t24-,25+;/m0./s1.

What are the key properties of tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen?

tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 668.83 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,5S)-3-[ethyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methoxy-6-methylphenyl)carbamoyl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 143500143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).