N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide

C40H58N2O7 — CID 14235646

About N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide

N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide (PubChem CID 14235646) has the molecular formula C40H58N2O7 and a molecular weight of 678.91 g/mol. Its IUPAC name is N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
• PubChem CID: 14235646
• Molecular Formula: C40H58N2O7
• Molecular Weight: 678.91 g/mol
• Exact Mass: 678.42
• IUPAC Name: N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
• SMILES: COC1/C=C(C)/C=C/C(C)/C=C/C(=O)OC(/C(C)=C/C=C(\C)CNC(=O)C(CO)NC=O)C(C)/C=C/C=C/C(OC)CC/C=C(C)/C=C/C1
• InChI: InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13+,31-25+,32-21+,34-23+
• InChIKey: FAVMTJDTJCBNEZ-JBBXTTHYSA-N
• XLogP: 6.17
• TPSA: 123.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.91
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide?

The IUPAC name of N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide (CID 14235646) is N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide.

What is the SMILES notation for N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide?

The canonical SMILES for N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide is COC1/C=C(C)/C=C/C(C)/C=C/C(=O)OC(/C(C)=C/C=C(\C)CNC(=O)C(CO)NC=O)C(C)/C=C/C=C/C(OC)CC/C=C(C)/C=C/C1.

What is the InChIKey of N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide?

The InChIKey is FAVMTJDTJCBNEZ-JBBXTTHYSA-N. The full InChI is InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13+,31-25+,32-21+,34-23+.

What are the key properties of N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide?

N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide has a molecular weight of 678.91 g/mol, XLogP of 6.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4E)-5-[(4E,6E,11E,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide is sourced from PubChem (CID 14235646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).