(14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane

C40H63N4O7P — CID 144934213

About (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane

(14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane (PubChem CID 144934213) has the molecular formula C40H63N4O7P and a molecular weight of 742.94 g/mol. Its IUPAC name is (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane.

Molecular Properties

• Compound Name: (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane
• PubChem CID: 144934213
• Molecular Formula: C40H63N4O7P
• Molecular Weight: 742.94 g/mol
• Exact Mass: 742.44
• IUPAC Name: (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane
• SMILES: CC.CC.CC.CC/C=C(\COC(C)(C)COC(C)(C)CN)NCC(=O)OC1C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CP
• InChI: InChI=1S/C33H40N4O7.3C2H6.CH5P/c1-6-9-22(16-42-33(4,5)19-43-32(2,3)18-34)35-14-27(38)44-29-23-13-26-28-21(12-20-10-7-8-11-25(20)36-28)15-37(26)30(39)24(23)17-41-31(29)40;4*1-2/h7-13,29,35H,6,14-19,34H2,1-5H3;3*1-2H3;2H2,1H3/b22-9+
• InChIKey: BJLQBBCFMHZIGV-SFFSNYLZSA-N
• XLogP: 7.07
• TPSA: 144.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	742.94
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane?

The IUPAC name of (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane (CID 144934213) is (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane.

What is the SMILES notation for (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane?

The canonical SMILES for (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane is CC.CC.CC.CC/C=C(\COC(C)(C)COC(C)(C)CN)NCC(=O)OC1C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CP.

What is the InChIKey of (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane?

The InChIKey is BJLQBBCFMHZIGV-SFFSNYLZSA-N. The full InChI is InChI=1S/C33H40N4O7.3C2H6.CH5P/c1-6-9-22(16-42-33(4,5)19-43-32(2,3)18-34)35-14-27(38)44-29-23-13-26-28-21(12-20-10-7-8-11-25(20)36-28)15-37(26)30(39)24(23)17-41-31(29)40;4*1-2/h7-13,29,35H,6,14-19,34H2,1-5H3;3*1-2H3;2H2,1H3/b22-9+;;;;.

What are the key properties of (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane?

(14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane has a molecular weight of 742.94 g/mol, XLogP of 7.07, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-[[(E)-1-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypent-2-en-2-yl]amino]acetate;ethane;methylphosphane is sourced from PubChem (CID 144934213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).