[1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate

C28H40N4O6 — CID 134279497

About [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate

[1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate (PubChem CID 134279497) has the molecular formula C28H40N4O6 and a molecular weight of 528.65 g/mol. Its IUPAC name is [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate
• PubChem CID: 134279497
• Molecular Formula: C28H40N4O6
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.29
• IUPAC Name: [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate
• SMILES: CNC(=O)OC(C)C(=O)NC(C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
• InChI: InChI=1S/C28H40N4O6/c1-17(38-28(37)29-2)25(34)31-24(19-10-4-3-5-11-19)27(36)32-16-20(33)15-23(32)26(35)30-22-14-8-12-18-9-6-7-13-21(18)22/h6-7,9,13,17,19-20,22-24,33H,3-5,8,10-12,14-16H2,1-2H3,(H,29,37)(H,30,35)(H,31,34)/t17?,20-,22-,23+,24?/m1/s1
• InChIKey: YUJIINBWFLIWJR-IMRSMWRRSA-N
• XLogP: 1.95
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate?

The IUPAC name of [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate (CID 134279497) is [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate.

What is the SMILES notation for [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate?

The canonical SMILES for [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate is CNC(=O)OC(C)C(=O)NC(C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.

What is the InChIKey of [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate?

The InChIKey is YUJIINBWFLIWJR-IMRSMWRRSA-N. The full InChI is InChI=1S/C28H40N4O6/c1-17(38-28(37)29-2)25(34)31-24(19-10-4-3-5-11-19)27(36)32-16-20(33)15-23(32)26(35)30-22-14-8-12-18-9-6-7-13-21(18)22/h6-7,9,13,17,19-20,22-24,33H,3-5,8,10-12,14-16H2,1-2H3,(H,29,37)(H,30,35)(H,31,34)/t17?,20-,22-,23+,24?/m1/s1.

What are the key properties of [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate?

[1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate has a molecular weight of 528.65 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-cyclohexyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate is sourced from PubChem (CID 134279497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).