N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide

C26H23N3O7 — CID 169246326

IUPACN-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c4c1c2C(NC(C)=O)CC4)OCO3
InChIInChI=1S/C26H23N3O7/c1-3-26(33)15-6-18-22-13(8-29(18)24(31)14(15)9-34-25(26)32)21-16(27-11(2)30)5-4-12-20(21)17(28-22)7-19-23(12)36-10-35-19/h6-7,16,33H,3-5,8-10H2,1-2H3,(H,27,30)/t16?,26-/m0/s1
InChIKeyOLGBSIGCELMIHS-TZHIXCAUSA-N
MW489.48 g/mol
LogP1.93
Rot. Bonds2

About N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide

N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide (PubChem CID 169246326) has the molecular formula C26H23N3O7 and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide.

Molecular Properties

Compound NameN-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide
PubChem CID169246326
Molecular FormulaC26H23N3O7
Molecular Weight489.48 g/mol
Exact Mass489.15
IUPAC NameN-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c4c1c2C(NC(C)=O)CC4)OCO3
InChIInChI=1S/C26H23N3O7/c1-3-26(33)15-6-18-22-13(8-29(18)24(31)14(15)9-34-25(26)32)21-16(27-11(2)30)5-4-12-20(21)17(28-22)7-19-23(12)36-10-35-19/h6-7,16,33H,3-5,8-10H2,1-2H3,(H,27,30)/t16?,26-/m0/s1
InChIKeyOLGBSIGCELMIHS-TZHIXCAUSA-N
XLogP1.93
TPSA128.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-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
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
(10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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)-heptaene-5,9-dione
CID 170290267
N-[(10S)-18-chloro-10-ethyl-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-hydroxycyclopropane-1-carboxamide
CID 171574500
N-[(10S,23S)-19-chloro-10-ethyl-18-fluoro-10-hydroxy-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-hydroxybutanamide
CID 169038099
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
(2S)-N-[(10S,23S)-19-chloro-10-ethyl-18-fluoro-10-hydroxy-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-hydroxypropanamide
CID 169038172
ethane;10-ethyl-23-(ethylamino)-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione
CID 178033937
(10S)-10-ethyl-18-fluoro-10,19,23-trihydroxy-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)-heptaene-5,9-dione
CID 176814566

Frequently Asked Questions

What is the IUPAC name of N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide?
The IUPAC name of N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide (CID 169246326) is N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide.
What is the SMILES notation for N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide?
The canonical SMILES for N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c4c1c2C(NC(C)=O)CC4)OCO3.
What is the InChIKey of N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide?
The InChIKey is OLGBSIGCELMIHS-TZHIXCAUSA-N. The full InChI is InChI=1S/C26H23N3O7/c1-3-26(33)15-6-18-22-13(8-29(18)24(31)14(15)9-34-25(26)32)21-16(27-11(2)30)5-4-12-20(21)17(28-22)7-19-23(12)36-10-35-19/h6-7,16,33H,3-5,8-10H2,1-2H3,(H,27,30)/t16?,26-/m0/s1.
What are the key properties of N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide?
N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide has a molecular weight of 489.48 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]acetamide is sourced from PubChem (CID 169246326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).