2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide

C25H24FN5O6 — CID 167175163

About 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide

2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide (PubChem CID 167175163) has the molecular formula C25H24FN5O6 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide
• PubChem CID: 167175163
• Molecular Formula: C25H24FN5O6
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.17
• IUPAC Name: 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)cc1c2/C=N/OCNC(=O)CN
• InChI: InChI=1S/C25H24FN5O6/c1-3-25(35)17-5-20-22-15(9-31(20)23(33)16(17)10-36-24(25)34)14(8-29-37-11-28-21(32)7-27)13-4-12(2)18(26)6-19(13)30-22/h4-6,8,35H,3,7,9-11,27H2,1-2H3,(H,28,32)/b29-8+/t25-/m0/s1
• InChIKey: RPSBNZCZZBTXMX-GSSJOHRASA-N
• XLogP: 0.91
• TPSA: 158.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide?

The IUPAC name of 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide (CID 167175163) is 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide.

What is the SMILES notation for 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide?

The canonical SMILES for 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)cc1c2/C=N/OCNC(=O)CN.

What is the InChIKey of 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide?

The InChIKey is RPSBNZCZZBTXMX-GSSJOHRASA-N. The full InChI is InChI=1S/C25H24FN5O6/c1-3-25(35)17-5-20-22-15(9-31(20)23(33)16(17)10-36-24(25)34)14(8-29-37-11-28-21(32)7-27)13-4-12(2)18(26)6-19(13)30-22/h4-6,8,35H,3,7,9-11,27H2,1-2H3,(H,28,32)/b29-8+/t25-/m0/s1.

What are the key properties of 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide?

2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide has a molecular weight of 509.49 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[(E)-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-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-10-yl]methylideneamino]oxymethyl]acetamide is sourced from PubChem (CID 167175163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).