[1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C31H41N3O6 — CID 175380280

About [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

[1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 175380280) has the molecular formula C31H41N3O6 and a molecular weight of 551.68 g/mol. Its IUPAC name is [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 175380280
• Molecular Formula: C31H41N3O6
• Molecular Weight: 551.68 g/mol
• Exact Mass: 551.30
• IUPAC Name: [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)CC(NC(=O)OC1(Cc2cccc(OCc3ccccc3)c2)CC1)C(=O)NC(CO)CC1CCNC1=O
• InChI: InChI=1S/C31H41N3O6/c1-21(2)15-27(29(37)33-25(19-35)17-24-11-14-32-28(24)36)34-30(38)40-31(12-13-31)18-23-9-6-10-26(16-23)39-20-22-7-4-3-5-8-22/h3-10,16,21,24-25,27,35H,11-15,17-20H2,1-2H3,(H,32,36)(H,33,37)(H,34,38)
• InChIKey: WCTCHQNPLJUVAS-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 125.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.68
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 175380280) is [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC1(Cc2cccc(OCc3ccccc3)c2)CC1)C(=O)NC(CO)CC1CCNC1=O.

What is the InChIKey of [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is WCTCHQNPLJUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O6/c1-21(2)15-27(29(37)33-25(19-35)17-24-11-14-32-28(24)36)34-30(38)40-31(12-13-31)18-23-9-6-10-26(16-23)39-20-22-7-4-3-5-8-22/h3-10,16,21,24-25,27,35H,11-15,17-20H2,1-2H3,(H,32,36)(H,33,37)(H,34,38).

What are the key properties of [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

[1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 551.68 g/mol, XLogP of 3.48, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3-phenylmethoxyphenyl)methyl]cyclopropyl] N-[1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 175380280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).