10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one

C21H29NO2 — CID 91500393

IUPAC10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
SMILESCC1C=CC=CC=CCC(C)C(O)CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C21H29NO2/c1-18-13-9-5-3-6-10-14-19(2)20(23)15-11-7-4-8-12-16-21(24)22-17-18/h3-13,16,18-20,23H,14-15,17H2,1-2H3,(H,22,24)
InChIKeyJXNRPSLEDMAULL-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.87
Rot. Bonds

About 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one

10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one (PubChem CID 91500393) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one.

Molecular Properties

Compound Name10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
PubChem CID91500393
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
SMILESCC1C=CC=CC=CCC(C)C(O)CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C21H29NO2/c1-18-13-9-5-3-6-10-14-19(2)20(23)15-11-7-4-8-12-16-21(24)22-17-18/h3-13,16,18-20,23H,14-15,17H2,1-2H3,(H,22,24)
InChIKeyJXNRPSLEDMAULL-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one?
The IUPAC name of 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one (CID 91500393) is 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one.
What is the SMILES notation for 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one?
The canonical SMILES for 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one is CC1C=CC=CC=CCC(C)C(O)CC=CC=CC=CC(=O)NC1.
What is the InChIKey of 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one?
The InChIKey is JXNRPSLEDMAULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-18-13-9-5-3-6-10-14-19(2)20(23)15-11-7-4-8-12-16-21(24)22-17-18/h3-13,16,18-20,23H,14-15,17H2,1-2H3,(H,22,24).
What are the key properties of 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one?
10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one has a molecular weight of 327.47 g/mol, XLogP of 3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one is sourced from PubChem (CID 91500393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).