(3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol

C69H74Br2N8O14 — CID 164947731

About (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol

(3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol (PubChem CID 164947731) has the molecular formula C69H74Br2N8O14 and a molecular weight of 1399.20 g/mol. Its IUPAC name is (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol.

Molecular Properties

• Compound Name: (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol
• PubChem CID: 164947731
• Molecular Formula: C69H74Br2N8O14
• Molecular Weight: 1399.20 g/mol
• Exact Mass: 1396.37
• IUPAC Name: (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol
• SMILES: COc1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)CN3[C@H](CN4C(=O)c5ccccc5C4=O)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1.COc1ccc(NC(=O)N2C[C@H]3OC(C)(C)O[C@H]3CN3[C@H](CN4C(=O)c5ccccc5C4=O)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1.OC1CCCO1
• InChI: InChI=1S/C34H35BrN4O6.C31H31BrN4O6.C4H8O2/c1-34(2)44-28-18-37(33(42)36-22-12-14-23(43-3)15-13-22)16-26-30(20-8-10-21(35)11-9-20)27(38(26)19-29(28)45-34)17-39-31(40)24-6-4-5-7-25(24)32(39)41;1-42-21-12-10-20(11-13-21)33-31(41)34-14-24-28(18-6-8-19(32)9-7-18)25(35(24)17-27(38)26(37)16-34)15-36-29(39)22-4-2-3-5-23(22)30(36)40;5-4-2-1-3-6-4/h4-15,26-30H,16-19H2,1-3H3,(H,36,42);2-13,24-28,37-38H,14-17H2,1H3,(H,33,41);4-5H,1-3H2/t26-,27+,28+,29-,30+;24-,25+,26+,27-,28+;/m00./s1
• InChIKey: ACNQYMAQAXQLBZ-DHCPRFLQSA-N
• XLogP: 8.23
• TPSA: 252.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.20
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol?

The IUPAC name of (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol (CID 164947731) is (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol.

What is the SMILES notation for (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol?

The canonical SMILES for (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol is COc1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)CN3[C@H](CN4C(=O)c5ccccc5C4=O)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1.COc1ccc(NC(=O)N2C[C@H]3OC(C)(C)O[C@H]3CN3[C@H](CN4C(=O)c5ccccc5C4=O)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1.OC1CCCO1.

What is the InChIKey of (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol?

The InChIKey is ACNQYMAQAXQLBZ-DHCPRFLQSA-N. The full InChI is InChI=1S/C34H35BrN4O6.C31H31BrN4O6.C4H8O2/c1-34(2)44-28-18-37(33(42)36-22-12-14-23(43-3)15-13-22)16-26-30(20-8-10-21(35)11-9-20)27(38(26)19-29(28)45-34)17-39-31(40)24-6-4-5-7-25(24)32(39)41;1-42-21-12-10-20(11-13-21)33-31(41)34-14-24-28(18-6-8-19(32)9-7-18)25(35(24)17-27(38)26(37)16-34)15-36-29(39)22-4-2-3-5-23(22)30(36)40;5-4-2-1-3-6-4/h4-15,26-30H,16-19H2,1-3H3,(H,36,42);2-13,24-28,37-38H,14-17H2,1H3,(H,33,41);4-5H,1-3H2/t26-,27+,28+,29-,30+;24-,25+,26+,27-,28+;/m00./s1.

What are the key properties of (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol?

(3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol has a molecular weight of 1399.20 g/mol, XLogP of 8.23, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,8R,9S,10S)-9-(4-bromophenyl)-10-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide;(1S,4S,5S,6R,10R)-5-(4-bromophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methoxyphenyl)-12,12-dimethyl-11,13-dioxa-3,8-diazatricyclo[8.3.0.03,6]tridecane-8-carboxamide;oxolan-2-ol is sourced from PubChem (CID 164947731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).