ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane

C35H68N4O7 — CID 143418680

About ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane

ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane (PubChem CID 143418680) has the molecular formula C35H68N4O7 and a molecular weight of 656.95 g/mol. Its IUPAC name is ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane.

Molecular Properties

• Compound Name: ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane
• PubChem CID: 143418680
• Molecular Formula: C35H68N4O7
• Molecular Weight: 656.95 g/mol
• Exact Mass: 656.51
• IUPAC Name: ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane
• SMILES: C=C1CC(C(=O)N[C@@H](CCC)C(OC)C(=O)NC(C)CC)N(C(=O)C(NC(=O)O[C@H]2CCOC2)C(C)(C)C)C1.CC.CC.CCC
• InChI: InChI=1S/C28H48N4O7.C3H8.2C2H6/c1-9-11-20(22(37-8)25(34)29-18(4)10-2)30-24(33)21-14-17(3)15-32(21)26(35)23(28(5,6)7)31-27(36)39-19-12-13-38-16-19;1-3-2;2*1-2/h18-23H,3,9-16H2,1-2,4-8H3,(H,29,34)(H,30,33)(H,31,36);3H2,1-2H3;2*1-2H3/t18?,19-,20-,21?,22?,23?;;;/m0.../s1
• InChIKey: JWZHGLLJXZMPRJ-DEVJGUNUSA-N
• XLogP: 5.76
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.95
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane?

The IUPAC name of ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane (CID 143418680) is ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane.

What is the SMILES notation for ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane?

The canonical SMILES for ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane is C=C1CC(C(=O)N[C@@H](CCC)C(OC)C(=O)NC(C)CC)N(C(=O)C(NC(=O)O[C@H]2CCOC2)C(C)(C)C)C1.CC.CC.CCC.

What is the InChIKey of ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane?

The InChIKey is JWZHGLLJXZMPRJ-DEVJGUNUSA-N. The full InChI is InChI=1S/C28H48N4O7.C3H8.2C2H6/c1-9-11-20(22(37-8)25(34)29-18(4)10-2)30-24(33)21-14-17(3)15-32(21)26(35)23(28(5,6)7)31-27(36)39-19-12-13-38-16-19;1-3-2;2*1-2/h18-23H,3,9-16H2,1-2,4-8H3,(H,29,34)(H,30,33)(H,31,36);3H2,1-2H3;2*1-2H3/t18?,19-,20-,21?,22?,23?;;;/m0.../s1.

What are the key properties of ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane?

ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane has a molecular weight of 656.95 g/mol, XLogP of 5.76, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[(3S)-oxolan-3-yl] N-[1-[2-[[(3S)-1-(butan-2-ylamino)-2-methoxy-1-oxohexan-3-yl]carbamoyl]-4-methylidenepyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane is sourced from PubChem (CID 143418680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).