9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide

C20H17NO4 — CID 42559548

IUPAC9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H17NO4/c22-18-14-5-1-2-6-15(14)19(23)17-10-12(7-8-16(17)18)20(24)21-11-13-4-3-9-25-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,24)/t13-/m0/s1
InChIKeyZDLYLQPXOBEDQA-ZDUSSCGKSA-N
MW335.36 g/mol
LogP2.37
Rot. Bonds3

About 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide

9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide (PubChem CID 42559548) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide.

Molecular Properties

Compound Name9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
PubChem CID42559548
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H17NO4/c22-18-14-5-1-2-6-15(14)19(23)17-10-12(7-8-16(17)18)20(24)21-11-13-4-3-9-25-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,24)/t13-/m0/s1
InChIKeyZDLYLQPXOBEDQA-ZDUSSCGKSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 41340050
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
2-naphthalen-1-yl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 3760785
2-(3-methylbutyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1262348
1,3-dioxo-N-(oxolan-2-ylmethyl)-2-prop-2-enylisoindole-5-carboxamide
CID 18083848
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 7394298
2-(2,3-dimethylphenyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 28924798
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide?
The IUPAC name of 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide (CID 42559548) is 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide.
What is the SMILES notation for 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide?
The canonical SMILES for 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide?
The InChIKey is ZDLYLQPXOBEDQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17NO4/c22-18-14-5-1-2-6-15(14)19(23)17-10-12(7-8-16(17)18)20(24)21-11-13-4-3-9-25-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,24)/t13-/m0/s1.
What are the key properties of 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide?
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide is sourced from PubChem (CID 42559548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).