N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide

C171H216N18O12 — CID 158526433

About N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide

N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide (PubChem CID 158526433) has the molecular formula C171H216N18O12 and a molecular weight of 2715.72 g/mol. Its IUPAC name is N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide
• PubChem CID: 158526433
• Molecular Formula: C171H216N18O12
• Molecular Weight: 2715.72 g/mol
• Exact Mass: 2713.68
• IUPAC Name: N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide
• SMILES: C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(OC)c1
• InChI: InChI=1S/C30H39N3O2.2C29H37N3O2.2C28H35N3O2.C27H33N3O2/c1-3-17-32-20-26-19-27(21-32)33(26)29(24-9-8-12-28(18-24)35-2)22-13-15-23(16-14-22)30(34)31-25-10-6-4-5-7-11-25;1-3-16-31-19-25-18-26(20-31)32(25)28(23-8-7-11-27(17-23)34-2)21-12-14-22(15-13-21)29(33)30-24-9-5-4-6-10-24;1-2-16-31-19-25-18-26(20-31)32(25)28(23-8-7-11-27(33)17-23)21-12-14-22(15-13-21)29(34)30-24-9-5-3-4-6-10-24;1-3-15-30-18-24-17-25(19-30)31(24)27(22-7-6-10-26(16-22)33-2)20-11-13-21(14-12-20)28(32)29-23-8-4-5-9-23;1-2-15-30-18-24-17-25(19-30)31(24)27(22-7-6-10-26(32)16-22)20-11-13-21(14-12-20)28(33)29-23-8-4-3-5-9-23;1-2-14-29-17-23-16-24(18-29)30(23)26(21-6-5-9-25(31)15-21)19-10-12-20(13-11-19)27(32)28-22-7-3-4-8-22/h3,8-9,12-16,18,25-27,29H,1,4-7,10-11,17,19-21H2,2H3,(H,31,34);3,7-8,11-15,17,24-26,28H,1,4-6,9-10,16,18-20H2,2H3,(H,30,33);2,7-8,11-15,17,24-26,28,33H,1,3-6,9-10,16,18-20H2,(H,30,34);3,6-7,10-14,16,23-25,27H,1,4-5,8-9,15,17-19H2,2H3,(H,29,32);2,6-7,10-14,16,23-25,27,32H,1,3-5,8-9,15,17-19H2,(H,29,33);2,5-6,9-13,15,22-24,26,31H,1,3-4,7-8,14,16-18H2,(H,28,32)
• InChIKey: HMVMTZQVWXSHID-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 301.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2715.72
LogP ≤ 5	27.84
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-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide?

The IUPAC name of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide (CID 158526433) is N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide.

What is the SMILES notation for N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide?

The canonical SMILES for N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide is C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(O)c1.C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)NC2CCCCCC2)cc1)c1cccc(OC)c1.

What is the InChIKey of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide?

The InChIKey is HMVMTZQVWXSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2.2C29H37N3O2.2C28H35N3O2.C27H33N3O2/c1-3-17-32-20-26-19-27(21-32)33(26)29(24-9-8-12-28(18-24)35-2)22-13-15-23(16-14-22)30(34)31-25-10-6-4-5-7-11-25;1-3-16-31-19-25-18-26(20-31)32(25)28(23-8-7-11-27(17-23)34-2)21-12-14-22(15-13-21)29(33)30-24-9-5-4-6-10-24;1-2-16-31-19-25-18-26(20-31)32(25)28(23-8-7-11-27(33)17-23)21-12-14-22(15-13-21)29(34)30-24-9-5-3-4-6-10-24;1-3-15-30-18-24-17-25(19-30)31(24)27(22-7-6-10-26(16-22)33-2)20-11-13-21(14-12-20)28(32)29-23-8-4-5-9-23;1-2-15-30-18-24-17-25(19-30)31(24)27(22-7-6-10-26(32)16-22)20-11-13-21(14-12-20)28(33)29-23-8-4-3-5-9-23;1-2-14-29-17-23-16-24(18-29)30(23)26(21-6-5-9-25(31)15-21)19-10-12-20(13-11-19)27(32)28-22-7-3-4-8-22/h3,8-9,12-16,18,25-27,29H,1,4-7,10-11,17,19-21H2,2H3,(H,31,34);3,7-8,11-15,17,24-26,28H,1,4-6,9-10,16,18-20H2,2H3,(H,30,33);2,7-8,11-15,17,24-26,28,33H,1,3-6,9-10,16,18-20H2,(H,30,34);3,6-7,10-14,16,23-25,27H,1,4-5,8-9,15,17-19H2,2H3,(H,29,32);2,6-7,10-14,16,23-25,27,32H,1,3-5,8-9,15,17-19H2,(H,29,33);2,5-6,9-13,15,22-24,26,31H,1,3-4,7-8,14,16-18H2,(H,28,32).

What are the key properties of N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide?

N-cycloheptyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide has a molecular weight of 2715.72 g/mol, XLogP of 27.84, 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-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclohexyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-hydroxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide;N-cyclopentyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide is sourced from PubChem (CID 158526433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).