oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

C28H41N3O4 — CID 69147381

IUPACoxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
SMILESO=C(NC(CCN1CC2CN(C(=O)CC3CCCCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1
InChIInChI=1S/C28H41N3O4/c32-27(15-21-7-3-1-4-8-21)31-18-23-16-30(17-24(23)19-31)13-11-26(22-9-5-2-6-10-22)29-28(33)35-25-12-14-34-20-25/h2,5-6,9-10,21,23-26H,1,3-4,7-8,11-20H2,(H,29,33)/t23-,24?,25?,26?/m0/s1
InChIKeyOAEPYETWBVTWLT-FFRMLBFNSA-N
MW483.65 g/mol
LogP3.99
Rot. Bonds8

About oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate (PubChem CID 69147381) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
PubChem CID69147381
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Nameoxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate
SMILESO=C(NC(CCN1CC2CN(C(=O)CC3CCCCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1
InChIInChI=1S/C28H41N3O4/c32-27(15-21-7-3-1-4-8-21)31-18-23-16-30(17-24(23)19-31)13-11-26(22-9-5-2-6-10-22)29-28(33)35-25-12-14-34-20-25/h2,5-6,9-10,21,23-26H,1,3-4,7-8,11-20H2,(H,29,33)/t23-,24?,25?,26?/m0/s1
InChIKeyOAEPYETWBVTWLT-FFRMLBFNSA-N
XLogP3.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate (CID 69147381) is oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate is O=C(NC(CCN1CC2CN(C(=O)CC3CCCCC3)C[C@@H]2C1)c1ccccc1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
The InChIKey is OAEPYETWBVTWLT-FFRMLBFNSA-N. The full InChI is InChI=1S/C28H41N3O4/c32-27(15-21-7-3-1-4-8-21)31-18-23-16-30(17-24(23)19-31)13-11-26(22-9-5-2-6-10-22)29-28(33)35-25-12-14-34-20-25/h2,5-6,9-10,21,23-26H,1,3-4,7-8,11-20H2,(H,29,33)/t23-,24?,25?,26?/m0/s1.
What are the key properties of oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate?
oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate has a molecular weight of 483.65 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[(3aS)-5-(2-cyclohexylacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate is sourced from PubChem (CID 69147381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).