4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane

C87H154F2N10O17 — CID 160530749

About 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane

4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane (PubChem CID 160530749) has the molecular formula C87H154F2N10O17 and a molecular weight of 1650.24 g/mol. Its IUPAC name is 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane.

Molecular Properties

• Compound Name: 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane
• PubChem CID: 160530749
• Molecular Formula: C87H154F2N10O17
• Molecular Weight: 1650.24 g/mol
• Exact Mass: 1649.15
• IUPAC Name: 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane
• SMILES: C.C.C.C.C.C.C.C.CCC(=NNC(=O)CNC(=O)CNC(=O)C(C)(C)CC(C)(CC)C(=O)NCC(C)O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C.CCC(C)(CC(C)(C)C(=O)NCC(=O)NCC(=O)NN=C1C=CC2(C)C(=C1)CCC1C3CC(C)C(O)(C(=O)CO)C3(C)CC(O)C12F)C(=O)NCC(C)O
• InChI: InChI=1S/C40H62FN5O8.C39H60FN5O9.8CH4/c1-10-29(45-46-32(51)21-42-31(50)20-44-33(52)35(5,6)22-36(7,11-2)34(53)43-19-24(4)47)40(54)23(3)16-28-27-13-12-25-17-26(48)14-15-37(25,8)39(27,41)30(49)18-38(28,40)9;1-9-35(6,33(53)42-17-23(3)47)21-34(4,5)32(52)43-18-30(50)41-19-31(51)45-44-25-12-13-36(7)24(15-25)10-11-26-27-14-22(2)39(54,29(49)20-46)37(27,8)16-28(48)38(26,36)40;;;;;;;;/h14-15,17,23-24,27-28,30,47,49,54H,10-13,16,18-22H2,1-9H3,(H,42,50)(H,43,53)(H,44,52)(H,46,51);12-13,15,22-23,26-28,46-48,54H,9-11,14,16-21H2,1-8H3,(H,41,50)(H,42,53)(H,43,52)(H,45,51);8*1H4
• InChIKey: QVMQJSVVBQFDEP-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 433.27 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1650.24
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane?

The IUPAC name of 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane (CID 160530749) is 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane.

What is the SMILES notation for 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane?

The canonical SMILES for 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane is C.C.C.C.C.C.C.C.CCC(=NNC(=O)CNC(=O)CNC(=O)C(C)(C)CC(C)(CC)C(=O)NCC(C)O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C.CCC(C)(CC(C)(C)C(=O)NCC(=O)NCC(=O)NN=C1C=CC2(C)C(=C1)CCC1C3CC(C)C(O)(C(=O)CO)C3(C)CC(O)C12F)C(=O)NCC(C)O.

What is the InChIKey of 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane?

The InChIKey is QVMQJSVVBQFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H62FN5O8.C39H60FN5O9.8CH4/c1-10-29(45-46-32(51)21-42-31(50)20-44-33(52)35(5,6)22-36(7,11-2)34(53)43-19-24(4)47)40(54)23(3)16-28-27-13-12-25-17-26(48)14-15-37(25,8)39(27,41)30(49)18-38(28,40)9;1-9-35(6,33(53)42-17-23(3)47)21-34(4,5)32(52)43-18-30(50)41-19-31(51)45-44-25-12-13-36(7)24(15-25)10-11-26-27-14-22(2)39(54,29(49)20-46)37(27,8)16-28(48)38(26,36)40;;;;;;;;/h14-15,17,23-24,27-28,30,47,49,54H,10-13,16,18-22H2,1-9H3,(H,42,50)(H,43,53)(H,44,52)(H,46,51);12-13,15,22-23,26-28,46-48,54H,9-11,14,16-21H2,1-8H3,(H,41,50)(H,42,53)(H,43,52)(H,45,51);8*1H4.

What are the key properties of 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane?

4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane has a molecular weight of 1650.24 g/mol, XLogP of 9.23, 28 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[2-[[2-[2-[9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;4-ethyl-N-[2-[[2-[2-[1-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-N'-(2-hydroxypropyl)-2,2,4-trimethylpentanediamide;methane is sourced from PubChem (CID 160530749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).