(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

C20H25NO2 — CID 146683209

IUPAC(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
SMILESC[C@H]1C=CC=CC=CC=C[C@H](O)CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C20H25NO2/c1-18-13-9-5-2-3-6-10-14-19(22)15-11-7-4-8-12-16-20(23)21-17-18/h2-14,16,18-19,22H,15,17H2,1H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyZGISRQDECHVCPS-OALUTQOASA-N
MW311.43 g/mol
LogP3.40
Rot. Bonds

About (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one (PubChem CID 146683209) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one.

Molecular Properties

Compound Name(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
PubChem CID146683209
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
SMILESC[C@H]1C=CC=CC=CC=C[C@H](O)CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C20H25NO2/c1-18-13-9-5-2-3-6-10-14-19(22)15-11-7-4-8-12-16-20(23)21-17-18/h2-14,16,18-19,22H,15,17H2,1H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyZGISRQDECHVCPS-OALUTQOASA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one?
The IUPAC name of (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one (CID 146683209) is (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one.
What is the SMILES notation for (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one?
The canonical SMILES for (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one is C[C@H]1C=CC=CC=CC=C[C@H](O)CC=CC=CC=CC(=O)NC1.
What is the InChIKey of (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one?
The InChIKey is ZGISRQDECHVCPS-OALUTQOASA-N. The full InChI is InChI=1S/C20H25NO2/c1-18-13-9-5-2-3-6-10-14-19(22)15-11-7-4-8-12-16-20(23)21-17-18/h2-14,16,18-19,22H,15,17H2,1H3,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one?
(10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one is sourced from PubChem (CID 146683209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).