N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide

C27H27FN2O5 — CID 155484957

IUPACN-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide
SMILESCC[C@@]1(O)COCc2c1cc1n(c2=O)Cc2c-1cc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CO)CC3
InChIInChI=1S/C27H27FN2O5/c1-3-27(34)12-35-11-18-19(27)8-22-16-6-14-7-20(28)13(2)15-4-5-21(29-23(32)10-31)25(24(14)15)17(16)9-30(22)26(18)33/h6-8,21,31,34H,3-5,9-12H2,1-2H3,(H,29,32)/t21-,27+/m0/s1
InChIKeyLQNKEPSYIWGJCD-KDYSTLNUSA-N
MW478.52 g/mol
LogP2.70
Rot. Bonds3

About N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide

N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide (PubChem CID 155484957) has the molecular formula C27H27FN2O5 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide
PubChem CID155484957
Molecular FormulaC27H27FN2O5
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC NameN-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide
SMILESCC[C@@]1(O)COCc2c1cc1n(c2=O)Cc2c-1cc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CO)CC3
InChIInChI=1S/C27H27FN2O5/c1-3-27(34)12-35-11-18-19(27)8-22-16-6-14-7-20(28)13(2)15-4-5-21(29-23(32)10-31)25(24(14)15)17(16)9-30(22)26(18)33/h6-8,21,31,34H,3-5,9-12H2,1-2H3,(H,29,32)/t21-,27+/m0/s1
InChIKeyLQNKEPSYIWGJCD-KDYSTLNUSA-N
XLogP2.70
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide (CID 155484957) is N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide is CC[C@@]1(O)COCc2c1cc1n(c2=O)Cc2c-1cc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CO)CC3.
What is the InChIKey of N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide?
The InChIKey is LQNKEPSYIWGJCD-KDYSTLNUSA-N. The full InChI is InChI=1S/C27H27FN2O5/c1-3-27(34)12-35-11-18-19(27)8-22-16-6-14-7-20(28)13(2)15-4-5-21(29-23(32)10-31)25(24(14)15)17(16)9-30(22)26(18)33/h6-8,21,31,34H,3-5,9-12H2,1-2H3,(H,29,32)/t21-,27+/m0/s1.
What are the key properties of N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide?
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide has a molecular weight of 478.52 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5-oxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide is sourced from PubChem (CID 155484957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).