N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide

C177H228N18O12 — CID 157116896

About N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide

N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide (PubChem CID 157116896) has the molecular formula C177H228N18O12 and a molecular weight of 2799.88 g/mol. Its IUPAC name is N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
• PubChem CID: 157116896
• Molecular Formula: C177H228N18O12
• Molecular Weight: 2799.88 g/mol
• Exact Mass: 2797.78
• IUPAC Name: N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
• SMILES: C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(OC)c1
• InChI: InChI=1S/C31H41N3O2.2C30H39N3O2.2C29H37N3O2.C28H35N3O2/c1-3-19-33-21-27-17-18-28(22-33)34(27)30(25-9-8-12-29(20-25)36-2)23-13-15-24(16-14-23)31(35)32-26-10-6-4-5-7-11-26;1-3-18-32-20-26-16-17-27(21-32)33(26)29(24-8-7-11-28(19-24)35-2)22-12-14-23(15-13-22)30(34)31-25-9-5-4-6-10-25;1-2-18-32-20-26-16-17-27(21-32)33(26)29(24-8-7-11-28(34)19-24)22-12-14-23(15-13-22)30(35)31-25-9-5-3-4-6-10-25;1-3-17-31-19-25-15-16-26(20-31)32(25)28(23-7-6-10-27(18-23)34-2)21-11-13-22(14-12-21)29(33)30-24-8-4-5-9-24;1-2-17-31-19-25-15-16-26(20-31)32(25)28(23-7-6-10-27(33)18-23)21-11-13-22(14-12-21)29(34)30-24-8-4-3-5-9-24;1-2-16-30-18-24-14-15-25(19-30)31(24)27(22-6-5-9-26(32)17-22)20-10-12-21(13-11-20)28(33)29-23-7-3-4-8-23/h3,8-9,12-16,20,26-28,30H,1,4-7,10-11,17-19,21-22H2,2H3,(H,32,35);3,7-8,11-15,19,25-27,29H,1,4-6,9-10,16-18,20-21H2,2H3,(H,31,34);2,7-8,11-15,19,25-27,29,34H,1,3-6,9-10,16-18,20-21H2,(H,31,35);3,6-7,10-14,18,24-26,28H,1,4-5,8-9,15-17,19-20H2,2H3,(H,30,33);2,6-7,10-14,18,24-26,28,33H,1,3-5,8-9,15-17,19-20H2,(H,30,34);2,5-6,9-13,17,23-25,27,32H,1,3-4,7-8,14-16,18-19H2,(H,29,33)
• InChIKey: AHMYDLDTVKBXIP-UHFFFAOYSA-N
• XLogP: 30.18
• TPSA: 301.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2799.88
LogP ≤ 5	30.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide?

The IUPAC name of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide (CID 157116896) is N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide.

What is the SMILES notation for N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide?

The canonical SMILES for N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide is C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(OC)c1.

What is the InChIKey of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide?

The InChIKey is AHMYDLDTVKBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2.2C30H39N3O2.2C29H37N3O2.C28H35N3O2/c1-3-19-33-21-27-17-18-28(22-33)34(27)30(25-9-8-12-29(20-25)36-2)23-13-15-24(16-14-23)31(35)32-26-10-6-4-5-7-11-26;1-3-18-32-20-26-16-17-27(21-32)33(26)29(24-8-7-11-28(19-24)35-2)22-12-14-23(15-13-22)30(34)31-25-9-5-4-6-10-25;1-2-18-32-20-26-16-17-27(21-32)33(26)29(24-8-7-11-28(34)19-24)22-12-14-23(15-13-22)30(35)31-25-9-5-3-4-6-10-25;1-3-17-31-19-25-15-16-26(20-31)32(25)28(23-7-6-10-27(18-23)34-2)21-11-13-22(14-12-21)29(33)30-24-8-4-5-9-24;1-2-17-31-19-25-15-16-26(20-31)32(25)28(23-7-6-10-27(33)18-23)21-11-13-22(14-12-21)29(34)30-24-8-4-3-5-9-24;1-2-16-30-18-24-14-15-25(19-30)31(24)27(22-6-5-9-26(32)17-22)20-10-12-21(13-11-20)28(33)29-23-7-3-4-8-23/h3,8-9,12-16,20,26-28,30H,1,4-7,10-11,17-19,21-22H2,2H3,(H,32,35);3,7-8,11-15,19,25-27,29H,1,4-6,9-10,16-18,20-21H2,2H3,(H,31,34);2,7-8,11-15,19,25-27,29,34H,1,3-6,9-10,16-18,20-21H2,(H,31,35);3,6-7,10-14,18,24-26,28H,1,4-5,8-9,15-17,19-20H2,2H3,(H,30,33);2,6-7,10-14,18,24-26,28,33H,1,3-5,8-9,15-17,19-20H2,(H,30,34);2,5-6,9-13,17,23-25,27,32H,1,3-4,7-8,14-16,18-19H2,(H,29,33).

What are the key properties of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide?

N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide has a molecular weight of 2799.88 g/mol, XLogP of 30.18, 45 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide is sourced from PubChem (CID 157116896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).