15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide

C29H36N4O2 — CID 110072552

About 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide

15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide (PubChem CID 110072552) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide.

Molecular Properties

• Compound Name: 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
• PubChem CID: 110072552
• Molecular Formula: C29H36N4O2
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.28
• IUPAC Name: 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
• SMILES: O=C(NCCc1cnc[nH]1)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2
• InChI: InChI=1S/C29H36N4O2/c34-29(31-12-11-27-18-30-21-32-27)25-9-10-28-26(17-25)16-23-5-4-6-24(15-23)20-33(19-22-7-8-22)13-2-1-3-14-35-28/h4-6,9-10,15,17-18,21-22H,1-3,7-8,11-14,16,19-20H2,(H,30,32)(H,31,34)
• InChIKey: ZANGCBDQDGTEGA-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The IUPAC name of 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide (CID 110072552) is 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide.

What is the SMILES notation for 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The canonical SMILES for 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2.

What is the InChIKey of 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The InChIKey is ZANGCBDQDGTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c34-29(31-12-11-27-18-30-21-32-27)25-9-10-28-26(17-25)16-23-5-4-6-24(15-23)20-33(19-22-7-8-22)13-2-1-3-14-35-28/h4-6,9-10,15,17-18,21-22H,1-3,7-8,11-14,16,19-20H2,(H,30,32)(H,31,34).

What are the key properties of 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(cyclopropylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide is sourced from PubChem (CID 110072552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).