(2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene

C29H39NO5 — CID 144875283

About (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene

(2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene (PubChem CID 144875283) has the molecular formula C29H39NO5 and a molecular weight of 481.63 g/mol. Its IUPAC name is (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene.

Molecular Properties

• Compound Name: (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene
• PubChem CID: 144875283
• Molecular Formula: C29H39NO5
• Molecular Weight: 481.63 g/mol
• Exact Mass: 481.28
• IUPAC Name: (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene
• SMILES: COc1ccc2c3c1O[C@@H](C(C)OC)C31CCN(CC3CC3)C(C2)C1CCCOCc1ccoc1
• InChI: InChI=1S/C29H39NO5/c1-19(31-2)28-29-11-12-30(16-20-6-7-20)24(15-22-8-9-25(32-3)27(35-28)26(22)29)23(29)5-4-13-33-17-21-10-14-34-18-21/h8-10,14,18-20,23-24,28H,4-7,11-13,15-17H2,1-3H3/t19?,23?,24?,28-,29?/m0/s1
• InChIKey: ZYIQEOKXZVCWKH-GXAPICEJSA-N
• XLogP: 4.98
• TPSA: 53.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.63
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene?

The IUPAC name of (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene (CID 144875283) is (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene.

What is the SMILES notation for (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene?

The canonical SMILES for (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene is COc1ccc2c3c1O[C@@H](C(C)OC)C31CCN(CC3CC3)C(C2)C1CCCOCc1ccoc1.

What is the InChIKey of (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene?

The InChIKey is ZYIQEOKXZVCWKH-GXAPICEJSA-N. The full InChI is InChI=1S/C29H39NO5/c1-19(31-2)28-29-11-12-30(16-20-6-7-20)24(15-22-8-9-25(32-3)27(35-28)26(22)29)23(29)5-4-13-33-17-21-10-14-34-18-21/h8-10,14,18-20,23-24,28H,4-7,11-13,15-17H2,1-3H3/t19?,23?,24?,28-,29?/m0/s1.

What are the key properties of (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene?

(2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene has a molecular weight of 481.63 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-11-(cyclopropylmethyl)-15-[3-(furan-3-ylmethoxy)propyl]-5-methoxy-2-(1-methoxyethyl)-3-oxa-11-azatetracyclo[6.5.1.11,10.04,14]pentadeca-4,6,8(14)-triene is sourced from PubChem (CID 144875283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).