N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide

C26H26FN3O5 — CID 177261486

IUPACN-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide
SMILESCC[C@@]1(O)C(=O)OCC2C(=O)N3Cc4c(nc5cc(F)c(C)c6c5c4C(NC(C)=O)CC6)C3=CC21
InChIInChI=1S/C26H26FN3O5/c1-4-26(34)16-7-20-23-14(9-30(20)24(32)15(16)10-35-25(26)33)22-18(28-12(3)31)6-5-13-11(2)17(27)8-19(29-23)21(13)22/h7-8,15-16,18,34H,4-6,9-10H2,1-3H3,(H,28,31)/t15?,16?,18?,26-/m0/s1
InChIKeyWEDKCWHDCWFOKF-BPPXUDLJSA-N
MW479.51 g/mol
LogP2.43
Rot. Bonds2

About N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide

N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide (PubChem CID 177261486) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide.

Molecular Properties

Compound NameN-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide
PubChem CID177261486
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide
SMILESCC[C@@]1(O)C(=O)OCC2C(=O)N3Cc4c(nc5cc(F)c(C)c6c5c4C(NC(C)=O)CC6)C3=CC21
InChIInChI=1S/C26H26FN3O5/c1-4-26(34)16-7-20-23-14(9-30(20)24(32)15(16)10-35-25(26)33)22-18(28-12(3)31)6-5-13-11(2)17(27)8-19(29-23)21(13)22/h7-8,15-16,18,34H,4-6,9-10H2,1-3H3,(H,28,31)/t15?,16?,18?,26-/m0/s1
InChIKeyWEDKCWHDCWFOKF-BPPXUDLJSA-N
XLogP2.43
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide with MolForge

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Related Compounds

N-[(10S)-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]acetamide
CID 12067229
(19S)-19-ethyl-19-hydroxy-5,6,7,8,10-pentamethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10-hexaene-14,18-dione
CID 59876161
N-(14-fluoro-15-methyl-5-oxo-7-propanoyl-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-19-yl)acetamide
CID 169449931
N-[(10S)-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]-2,2-dihydroxyacetamide
CID 163483841
3-amino-N-[(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]propanamide
CID 126589603
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]hexanamide
CID 170179827
[2-[[(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]amino]-2-oxoethyl]carbamic acid
CID 118321516
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]-4-hydroxy-3-oxobutanamide
CID 163231001
N-(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)-2,3-dihydroxy-2-methylpropanamide
CID 170975395
(2S)-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]-3,3,3-trifluoro-2-methylpropanamide
CID 170093355
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]-3-hydroxy-2-methylpropanamide
CID 170975499
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-oxo-5-sulfanylidene-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]-2-hydroxyethanethioamide
CID 166119668

Frequently Asked Questions

What is the IUPAC name of N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide?
The IUPAC name of N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide (CID 177261486) is N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide.
What is the SMILES notation for N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide?
The canonical SMILES for N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide is CC[C@@]1(O)C(=O)OCC2C(=O)N3Cc4c(nc5cc(F)c(C)c6c5c4C(NC(C)=O)CC6)C3=CC21.
What is the InChIKey of N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide?
The InChIKey is WEDKCWHDCWFOKF-BPPXUDLJSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-4-26(34)16-7-20-23-14(9-30(20)24(32)15(16)10-35-25(26)33)22-18(28-12(3)31)6-5-13-11(2)17(27)8-19(29-23)21(13)22/h7-8,15-16,18,34H,4-6,9-10H2,1-3H3,(H,28,31)/t15?,16?,18?,26-/m0/s1.
What are the key properties of N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide?
N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide has a molecular weight of 479.51 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10S)-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-1,12,14,16,18,20(24)-hexaen-23-yl]acetamide is sourced from PubChem (CID 177261486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).