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Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide

C24H23N3O8 — CID 171629716

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide
SMILESCC.O=C(CO)NCc1c2c(nc3cc4c(cc13)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3O
InChIInChI=1S/C22H17N3O8.C2H6/c26-6-18(27)23-4-11-9-2-16-17(33-8-32-16)3-14(9)24-19-12(11)5-25-15(19)1-10-13(21(25)29)7-31-22(30)20(10)28;1-2/h1-3,20,26,28H,4-8H2,(H,23,27);1-2H3
InChIKeyZIBXCVBIJZVMTH-UHFFFAOYSA-N
MW481.46 g/mol
LogP0.88
Rot. Bonds3

About Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide

Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide (PubChem CID 171629716) has the molecular formula C24H23N3O8 and a molecular weight of 481.46 g/mol. Its IUPAC name is ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide.

Molecular Properties

Compound NameEthane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide
PubChem CID171629716
Molecular FormulaC24H23N3O8
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC Nameethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide
SMILESCC.O=C(CO)NCc1c2c(nc3cc4c(cc13)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3O
InChIInChI=1S/C22H17N3O8.C2H6/c26-6-18(27)23-4-11-9-2-16-17(33-8-32-16)3-14(9)24-19-12(11)5-25-15(19)1-10-13(21(25)29)7-31-22(30)20(10)28;1-2/h1-3,20,26,28H,4-8H2,(H,23,27);1-2H3
InChIKeyZIBXCVBIJZVMTH-UHFFFAOYSA-N
XLogP0.88
TPSA149.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide?
The IUPAC name of Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide (CID 171629716) is ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide.
What is the SMILES notation for Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide?
The canonical SMILES for Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide is CC.O=C(CO)NCc1c2c(nc3cc4c(cc13)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3O.
What is the InChIKey of Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide?
The InChIKey is ZIBXCVBIJZVMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O8.C2H6/c26-6-18(27)23-4-11-9-2-16-17(33-8-32-16)3-14(9)24-19-12(11)5-25-15(19)1-10-13(21(25)29)7-31-22(30)20(10)28;1-2/h1-3,20,26,28H,4-8H2,(H,23,27);1-2H3.
What are the key properties of Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide?
Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide has a molecular weight of 481.46 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;2-hydroxy-N-[(5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl)methyl]acetamide is sourced from PubChem (CID 171629716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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