(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine

C78H112N14O15 — CID 157438336

About (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine

(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine (PubChem CID 157438336) has the molecular formula C78H112N14O15 and a molecular weight of 1485.84 g/mol. Its IUPAC name is (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine.

Molecular Properties

• Compound Name: (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine
• PubChem CID: 157438336
• Molecular Formula: C78H112N14O15
• Molecular Weight: 1485.84 g/mol
• Exact Mass: 1484.84
• IUPAC Name: (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine
• SMILES: CC(=O)CC[C@@H]1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC1=O.CC(CC[C@@H]1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC1=O)=NOCCN1CCOCC1.NOCCN1CCOCC1
• InChI: InChI=1S/C39H55N7O7.C33H43N5O6.C6H14N2O2/c1-25(2)35-37(48)42-28(5)38(49)46-15-7-10-34(43-46)36(47)41-27(4)30-13-14-31-24-40-33(23-32(31)22-30)9-6-8-29(39(50)53-35)12-11-26(3)44-52-21-18-45-16-19-51-20-17-45;1-19(2)29-31(41)36-22(5)32(42)38-15-7-10-28(37-38)30(40)35-21(4)24-13-14-25-18-34-27(17-26(25)16-24)9-6-8-23(33(43)44-29)12-11-20(3)39;7-10-6-3-8-1-4-9-5-2-8/h6,9,13-14,22-25,27-29,34-35,43H,7-8,10-12,15-21H2,1-5H3,(H,41,47)(H,42,48);6,9,13-14,16-19,21-23,28-29,37H,7-8,10-12,15H2,1-5H3,(H,35,40)(H,36,41);1-7H2/b9-6+,44-26?;9-6+;/t27-,28+,29+,34+,35+;21-,22+,23+,28+,29+;/m11./s1
• InChIKey: BRJGALRSPHTQBG-UOYLONPHSA-N
• XLogP: 6.11
• TPSA: 358.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1485.84
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine?

The IUPAC name of (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine (CID 157438336) is (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine.

What is the SMILES notation for (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine?

The canonical SMILES for (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine is CC(=O)CC[C@@H]1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC1=O.CC(CC[C@@H]1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC1=O)=NOCCN1CCOCC1.NOCCN1CCOCC1.

What is the InChIKey of (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine?

The InChIKey is BRJGALRSPHTQBG-UOYLONPHSA-N. The full InChI is InChI=1S/C39H55N7O7.C33H43N5O6.C6H14N2O2/c1-25(2)35-37(48)42-28(5)38(49)46-15-7-10-34(43-46)36(47)41-27(4)30-13-14-31-24-40-33(23-32(31)22-30)9-6-8-29(39(50)53-35)12-11-26(3)44-52-21-18-45-16-19-51-20-17-45;1-19(2)29-31(41)36-22(5)32(42)38-15-7-10-28(37-38)30(40)35-21(4)24-13-14-25-18-34-27(17-26(25)16-24)9-6-8-23(33(43)44-29)12-11-20(3)39;7-10-6-3-8-1-4-9-5-2-8/h6,9,13-14,22-25,27-29,34-35,43H,7-8,10-12,15-21H2,1-5H3,(H,41,47)(H,42,48);6,9,13-14,16-19,21-23,28-29,37H,7-8,10-12,15H2,1-5H3,(H,35,40)(H,36,41);1-7H2/b9-6+,44-26?;9-6+;/t27-,28+,29+,34+,35+;21-,22+,23+,28+,29+;/m11./s1.

What are the key properties of (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine?

(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine has a molecular weight of 1485.84 g/mol, XLogP of 6.11, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine is sourced from PubChem (CID 157438336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).