(2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide

C31H31FN4O7 — CID 176753717

About (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide

(2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 176753717) has the molecular formula C31H31FN4O7 and a molecular weight of 590.61 g/mol. Its IUPAC name is (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide
• PubChem CID: 176753717
• Molecular Formula: C31H31FN4O7
• Molecular Weight: 590.61 g/mol
• Exact Mass: 590.22
• IUPAC Name: (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H]1CCCN1C(=O)CO)CC3
• InChI: InChI=1S/C31H31FN4O7/c1-3-31(42)18-9-23-27-16(11-36(23)29(40)17(18)13-43-30(31)41)26-20(34-28(39)22-5-4-8-35(22)24(38)12-37)7-6-15-14(2)19(32)10-21(33-27)25(15)26/h9-10,20,22,37,42H,3-8,11-13H2,1-2H3,(H,34,39)/t20-,22+,31-/m0/s1
• InChIKey: GCXPCKHHPDDHMM-OSDLZFKDSA-N
• XLogP: 1.61
• TPSA: 151.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.61
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide (CID 176753717) is (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H]1CCCN1C(=O)CO)CC3.

What is the InChIKey of (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide?

The InChIKey is GCXPCKHHPDDHMM-OSDLZFKDSA-N. The full InChI is InChI=1S/C31H31FN4O7/c1-3-31(42)18-9-23-27-16(11-36(23)29(40)17(18)13-43-30(31)41)26-20(34-28(39)22-5-4-8-35(22)24(38)12-37)7-6-15-14(2)19(32)10-21(33-27)25(15)26/h9-10,20,22,37,42H,3-8,11-13H2,1-2H3,(H,34,39)/t20-,22+,31-/m0/s1.

What are the key properties of (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide?

(2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 590.61 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 176753717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).