ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane

C38H73N5O7 — CID 143354877

About ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane

ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane (PubChem CID 143354877) has the molecular formula C38H73N5O7 and a molecular weight of 712.03 g/mol. Its IUPAC name is ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane.

Molecular Properties

• Compound Name: ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane
• PubChem CID: 143354877
• Molecular Formula: C38H73N5O7
• Molecular Weight: 712.03 g/mol
• Exact Mass: 711.55
• IUPAC Name: ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane
• SMILES: CC.CC(C)COC(=O)C(NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C)C(C)(C)C.CCC.CCC
• InChI: InChI=1S/C30H51N5O7.2C3H8.C2H6/c1-17(2)16-42-27(40)23(30(6,7)8)34-28(41)33-22(29(3,4)5)26(39)35-14-10-13-20(35)25(38)32-19(21(36)24(31)37)15-18-11-9-12-18;2*1-3-2;1-2/h17-20,22-23H,9-16H2,1-8H3,(H2,31,37)(H,32,38)(H2,33,34,41);2*3H2,1-2H3;1-2H3
• InChIKey: ADEIQXMVDBXRPF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.03
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane?

The IUPAC name of ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane (CID 143354877) is ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane.

What is the SMILES notation for ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane?

The canonical SMILES for ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane is CC.CC(C)COC(=O)C(NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C)C(C)(C)C.CCC.CCC.

What is the InChIKey of ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane?

The InChIKey is ADEIQXMVDBXRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N5O7.2C3H8.C2H6/c1-17(2)16-42-27(40)23(30(6,7)8)34-28(41)33-22(29(3,4)5)26(39)35-14-10-13-20(35)25(38)32-19(21(36)24(31)37)15-18-11-9-12-18;2*1-3-2;1-2/h17-20,22-23H,9-16H2,1-8H3,(H2,31,37)(H,32,38)(H2,33,34,41);2*3H2,1-2H3;1-2H3.

What are the key properties of ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane?

ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane has a molecular weight of 712.03 g/mol, XLogP of 5.89, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane is sourced from PubChem (CID 143354877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).