(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one

C23H35NO2 — CID 135019823

IUPAC(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
SMILESC/C1=C\C=C\CC[C@H](C)CNC(=O)/C=C/C=C/[C@H](C)[C@@H](O)C/C=C(\C)C1
InChIInChI=1S/C23H35NO2/c1-18-10-6-5-7-11-20(3)17-24-23(26)13-9-8-12-21(4)22(25)15-14-19(2)16-18/h5-6,8-10,12-14,20-22,25H,7,11,15-17H2,1-4H3,(H,24,26)/b6-5+,12-8+,13-9+,18-10+,19-14+/t20-,21-,22-/m0/s1
InChIKeyLHBMGWHGMXXASO-IPVDBYQFSA-N
MW357.54 g/mol
LogP4.87
Rot. Bonds

About (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one

(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one (PubChem CID 135019823) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one.

Molecular Properties

Compound Name(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
PubChem CID135019823
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
SMILESC/C1=C\C=C\CC[C@H](C)CNC(=O)/C=C/C=C/[C@H](C)[C@@H](O)C/C=C(\C)C1
InChIInChI=1S/C23H35NO2/c1-18-10-6-5-7-11-20(3)17-24-23(26)13-9-8-12-21(4)22(25)15-14-19(2)16-18/h5-6,8-10,12-14,20-22,25H,7,11,15-17H2,1-4H3,(H,24,26)/b6-5+,12-8+,13-9+,18-10+,19-14+/t20-,21-,22-/m0/s1
InChIKeyLHBMGWHGMXXASO-IPVDBYQFSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one?
The IUPAC name of (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one (CID 135019823) is (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one.
What is the SMILES notation for (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one?
The canonical SMILES for (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one is C/C1=C\C=C\CC[C@H](C)CNC(=O)/C=C/C=C/[C@H](C)[C@@H](O)C/C=C(\C)C1.
What is the InChIKey of (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one?
The InChIKey is LHBMGWHGMXXASO-IPVDBYQFSA-N. The full InChI is InChI=1S/C23H35NO2/c1-18-10-6-5-7-11-20(3)17-24-23(26)13-9-8-12-21(4)22(25)15-14-19(2)16-18/h5-6,8-10,12-14,20-22,25H,7,11,15-17H2,1-4H3,(H,24,26)/b6-5+,12-8+,13-9+,18-10+,19-14+/t20-,21-,22-/m0/s1.
What are the key properties of (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one?
(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one has a molecular weight of 357.54 g/mol, XLogP of 4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one is sourced from PubChem (CID 135019823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).