[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate

C19H31N3O5 — CID 175380204

About [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate

[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate (PubChem CID 175380204) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate.

Molecular Properties

• Compound Name: [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
• PubChem CID: 175380204
• Molecular Formula: C19H31N3O5
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.23
• IUPAC Name: [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
• SMILES: CC1(C)CC(CC(C=O)NC(=O)C(CC2CCCCC2)OC(N)=O)C(=O)N1
• InChI: InChI=1S/C19H31N3O5/c1-19(2)10-13(16(24)22-19)9-14(11-23)21-17(25)15(27-18(20)26)8-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,24)
• InChIKey: PJNXBEZCHNXVRS-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 127.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?

The IUPAC name of [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate (CID 175380204) is [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate.

What is the SMILES notation for [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?

The canonical SMILES for [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate is CC1(C)CC(CC(C=O)NC(=O)C(CC2CCCCC2)OC(N)=O)C(=O)N1.

What is the InChIKey of [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?

The InChIKey is PJNXBEZCHNXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-19(2)10-13(16(24)22-19)9-14(11-23)21-17(25)15(27-18(20)26)8-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,24).

What are the key properties of [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate?

[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate has a molecular weight of 381.47 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175380204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).