2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

C39H58N6O10 — CID 23277741

About 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide (PubChem CID 23277741) has the molecular formula C39H58N6O10 and a molecular weight of 770.93 g/mol. Its IUPAC name is 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide
• PubChem CID: 23277741
• Molecular Formula: C39H58N6O10
• Molecular Weight: 770.93 g/mol
• Exact Mass: 770.42
• IUPAC Name: 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide
• SMILES: CCN1CC(C(O)C(CC2CCCCC2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CC(=O)N2CC(OCOC)C(OCOC)C2)Cc2ccccc2)OC1=O
• InChI: InChI=1S/C39H58N6O10/c1-4-44-22-34(55-39(44)50)36(47)30(16-27-13-9-6-10-14-27)42-38(49)31(18-29-19-40-23-41-29)43-37(48)28(15-26-11-7-5-8-12-26)17-35(46)45-20-32(53-24-51-2)33(21-45)54-25-52-3/h5,7-8,11-12,19,23,27-28,30-34,36,47H,4,6,9-10,13-18,20-22,24-25H2,1-3H3,(H,40,41)(H,42,49)(H,43,48)
• InChIKey: XDZOMKZUBUHOHZ-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 193.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.93
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide?

The IUPAC name of 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide (CID 23277741) is 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide.

What is the SMILES notation for 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide?

The canonical SMILES for 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide is CCN1CC(C(O)C(CC2CCCCC2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CC(=O)N2CC(OCOC)C(OCOC)C2)Cc2ccccc2)OC1=O.

What is the InChIKey of 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide?

The InChIKey is XDZOMKZUBUHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N6O10/c1-4-44-22-34(55-39(44)50)36(47)30(16-27-13-9-6-10-14-27)42-38(49)31(18-29-19-40-23-41-29)43-37(48)28(15-26-11-7-5-8-12-26)17-35(46)45-20-32(53-24-51-2)33(21-45)54-25-52-3/h5,7-8,11-12,19,23,27-28,30-34,36,47H,4,6,9-10,13-18,20-22,24-25H2,1-3H3,(H,40,41)(H,42,49)(H,43,48).

What are the key properties of 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide?

2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide has a molecular weight of 770.93 g/mol, XLogP of 2.16, 21 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-4-[3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide is sourced from PubChem (CID 23277741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).