(8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one

C32H46N2O4 — CID 144752202

About (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one

(8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one (PubChem CID 144752202) has the molecular formula C32H46N2O4 and a molecular weight of 522.73 g/mol. Its IUPAC name is (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one.

Molecular Properties

• Compound Name: (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one
• PubChem CID: 144752202
• Molecular Formula: C32H46N2O4
• Molecular Weight: 522.73 g/mol
• Exact Mass: 522.35
• IUPAC Name: (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one
• SMILES: CC/C=C1/CCC2(C)OC2CC2CC(C/C=C/C=C(\C)Cc3cc(OC)c(CCC)c(c3)N1C)NC(=O)O2
• InChI: InChI=1S/C32H46N2O4/c1-7-11-25-15-16-32(4)30(38-32)21-26-20-24(33-31(35)37-26)14-10-9-13-22(3)17-23-18-28(34(25)5)27(12-8-2)29(19-23)36-6/h9-11,13,18-19,24,26,30H,7-8,12,14-17,20-21H2,1-6H3,(H,33,35)/b10-9+,22-13+,25-11-
• InChIKey: XBIWZQXKQLPSRH-HJMJTCPGSA-N
• XLogP: 7.02
• TPSA: 63.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.73
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one?

The IUPAC name of (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one (CID 144752202) is (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one.

What is the SMILES notation for (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one?

The canonical SMILES for (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one is CC/C=C1/CCC2(C)OC2CC2CC(C/C=C/C=C(\C)Cc3cc(OC)c(CCC)c(c3)N1C)NC(=O)O2.

What is the InChIKey of (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one?

The InChIKey is XBIWZQXKQLPSRH-HJMJTCPGSA-N. The full InChI is InChI=1S/C32H46N2O4/c1-7-11-25-15-16-32(4)30(38-32)21-26-20-24(33-31(35)37-26)14-10-9-13-22(3)17-23-18-28(34(25)5)27(12-8-2)29(19-23)36-6/h9-11,13,18-19,24,26,30H,7-8,12,14-17,20-21H2,1-6H3,(H,33,35)/b10-9+,22-13+,25-11-.

What are the key properties of (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one?

(8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one has a molecular weight of 522.73 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z,16E,18E)-12-methoxy-5,9,16-trimethyl-11-propyl-8-propylidene-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-23-one is sourced from PubChem (CID 144752202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).