2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide

C20H23N3O2 — CID 10449735

IUPAC2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide
SMILESCC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24)
InChIKeyCAXHILOLIJMQKD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.24
Rot. Bonds4

About 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide

2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide (PubChem CID 10449735) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide
PubChem CID10449735
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide
SMILESCC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24)
InChIKeyCAXHILOLIJMQKD-UHFFFAOYSA-N
XLogP3.24
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide (CID 10449735) is 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide is CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide?
The InChIKey is CAXHILOLIJMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24).
What are the key properties of 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide?
2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide is sourced from PubChem (CID 10449735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).