2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol

C27H34N4O6 — CID 163276336

About 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol

2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol (PubChem CID 163276336) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol.

Molecular Properties

• Compound Name: 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol
• PubChem CID: 163276336
• Molecular Formula: C27H34N4O6
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.25
• IUPAC Name: 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol
• SMILES: CC.CCc1c2c(nc3ccc(OCC(=O)NN)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3CC.CO
• InChI: InChI=1S/C24H24N4O5.C2H6.CH4O/c1-3-13-16-7-12(32-11-21(29)27-25)5-6-19(16)26-22-17(13)9-28-20(22)8-15-14(4-2)24(31)33-10-18(15)23(28)30;2*1-2/h5-8,14H,3-4,9-11,25H2,1-2H3,(H,27,29);1-2H3;2H,1H3
• InChIKey: HUEZLJQRSSBTMY-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 145.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol?

The IUPAC name of 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol (CID 163276336) is 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol.

What is the SMILES notation for 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol?

The canonical SMILES for 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol is CC.CCc1c2c(nc3ccc(OCC(=O)NN)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3CC.CO.

What is the InChIKey of 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol?

The InChIKey is HUEZLJQRSSBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5.C2H6.CH4O/c1-3-13-16-7-12(32-11-21(29)27-25)5-6-19(16)26-22-17(13)9-28-20(22)8-15-14(4-2)24(31)33-10-18(15)23(28)30;2*1-2/h5-8,14H,3-4,9-11,25H2,1-2H3,(H,27,29);1-2H3;2H,1H3.

What are the key properties of 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol?

2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol has a molecular weight of 510.59 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol is sourced from PubChem (CID 163276336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).