N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane

C36H59N5O6 — CID 143359365

About N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane

N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane (PubChem CID 143359365) has the molecular formula C36H59N5O6 and a molecular weight of 657.90 g/mol. Its IUPAC name is N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane.

Molecular Properties

• Compound Name: N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane
• PubChem CID: 143359365
• Molecular Formula: C36H59N5O6
• Molecular Weight: 657.90 g/mol
• Exact Mass: 657.45
• IUPAC Name: N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane
• SMILES: CCC.CCC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC1(Cc2ccccc2O)CCCCC1)C(C)(C)C)C(=O)C(N)=O
• InChI: InChI=1S/C33H51N5O6.C3H8/c1-6-21(2)19-23(26(40)28(34)41)35-29(42)24-14-12-18-38(24)30(43)27(32(3,4)5)36-31(44)37-33(16-10-7-11-17-33)20-22-13-8-9-15-25(22)39;1-3-2/h8-9,13,15,21,23-24,27,39H,6-7,10-12,14,16-20H2,1-5H3,(H2,34,41)(H,35,42)(H2,36,37,44);3H2,1-2H3
• InChIKey: GPKBAZXMJPOUKW-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 170.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.90
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane?

The IUPAC name of N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane (CID 143359365) is N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane.

What is the SMILES notation for N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane?

The canonical SMILES for N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane is CCC.CCC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC1(Cc2ccccc2O)CCCCC1)C(C)(C)C)C(=O)C(N)=O.

What is the InChIKey of N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane?

The InChIKey is GPKBAZXMJPOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N5O6.C3H8/c1-6-21(2)19-23(26(40)28(34)41)35-29(42)24-14-12-18-38(24)30(43)27(32(3,4)5)36-31(44)37-33(16-10-7-11-17-33)20-22-13-8-9-15-25(22)39;1-3-2/h8-9,13,15,21,23-24,27,39H,6-7,10-12,14,16-20H2,1-5H3,(H2,34,41)(H,35,42)(H2,36,37,44);3H2,1-2H3.

What are the key properties of N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane?

N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane has a molecular weight of 657.90 g/mol, XLogP of 4.73, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-5-methyl-1,2-dioxoheptan-3-yl)-1-[2-[[1-[(2-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;propane is sourced from PubChem (CID 143359365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).