N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C36H61N5O7 — CID 143353878

About N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 143353878) has the molecular formula C36H61N5O7 and a molecular weight of 675.91 g/mol. Its IUPAC name is N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 143353878
• Molecular Formula: C36H61N5O7
• Molecular Weight: 675.91 g/mol
• Exact Mass: 675.46
• IUPAC Name: N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CC.CC.CC(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)C)C(C)(C)C.O=CNCC(=O)NCc1ccccc1
• InChI: InChI=1S/C22H37N3O5.C10H12N2O2.2C2H6/c1-13(2)30-21(29)24-18(22(4,5)6)20(28)25-11-7-8-17(25)19(27)23-16(14(3)26)12-15-9-10-15;13-8-11-7-10(14)12-6-9-4-2-1-3-5-9;2*1-2/h13,15-18H,7-12H2,1-6H3,(H,23,27)(H,24,29);1-5,8H,6-7H2,(H,11,13)(H,12,14);2*1-2H3
• InChIKey: YPAWQQAURMAFAB-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 163.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	675.91
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 143353878) is N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC.CC.CC(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)C)C(C)(C)C.O=CNCC(=O)NCc1ccccc1.

What is the InChIKey of N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is YPAWQQAURMAFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O5.C10H12N2O2.2C2H6/c1-13(2)30-21(29)24-18(22(4,5)6)20(28)25-11-7-8-17(25)19(27)23-16(14(3)26)12-15-9-10-15;13-8-11-7-10(14)12-6-9-4-2-1-3-5-9;2*1-2/h13,15-18H,7-12H2,1-6H3,(H,23,27)(H,24,29);1-5,8H,6-7H2,(H,11,13)(H,12,14);2*1-2H3.

What are the key properties of N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 675.91 g/mol, XLogP of 4.50, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-formamidoacetamide;ethane;propan-2-yl N-[1-[2-[(1-cyclopropyl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 143353878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).