(11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide

C29H35ClN6O4 — CID 156585007

About (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide

(11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide (PubChem CID 156585007) has the molecular formula C29H35ClN6O4 and a molecular weight of 567.09 g/mol. Its IUPAC name is (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide
• PubChem CID: 156585007
• Molecular Formula: C29H35ClN6O4
• Molecular Weight: 567.09 g/mol
• Exact Mass: 566.24
• IUPAC Name: (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide
• SMILES: CC(C)C[C@H]1NC(=O)CN(C(=O)Nc2ccccc2Cl)CCCOc2cccc(c2)-c2nccn2CCNC1=O
• InChI: InChI=1S/C29H35ClN6O4/c1-20(2)17-25-28(38)32-12-15-35-14-11-31-27(35)21-7-5-8-22(18-21)40-16-6-13-36(19-26(37)33-25)29(39)34-24-10-4-3-9-23(24)30/h3-5,7-11,14,18,20,25H,6,12-13,15-17,19H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)/t25-/m1/s1
• InChIKey: BULVFBJNXQINNQ-RUZDIDTESA-N
• XLogP: 4.17
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.09
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide?

The IUPAC name of (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide (CID 156585007) is (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide.

What is the SMILES notation for (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide?

The canonical SMILES for (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide is CC(C)C[C@H]1NC(=O)CN(C(=O)Nc2ccccc2Cl)CCCOc2cccc(c2)-c2nccn2CCNC1=O.

What is the InChIKey of (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide?

The InChIKey is BULVFBJNXQINNQ-RUZDIDTESA-N. The full InChI is InChI=1S/C29H35ClN6O4/c1-20(2)17-25-28(38)32-12-15-35-14-11-31-27(35)21-7-5-8-22(18-21)40-16-6-13-36(19-26(37)33-25)29(39)34-24-10-4-3-9-23(24)30/h3-5,7-11,14,18,20,25H,6,12-13,15-17,19H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)/t25-/m1/s1.

What are the key properties of (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide?

(11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide has a molecular weight of 567.09 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-N-(2-chlorophenyl)-11-(2-methylpropyl)-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carboxamide is sourced from PubChem (CID 156585007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).