2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide

C19H21N3O2 — CID 10041884

IUPAC2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide
SMILESCCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-14(17)16-11-13(9-10-15(16)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyXHYODIHHGBANJG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.67
Rot. Bonds4

About 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide

2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide (PubChem CID 10041884) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide
PubChem CID10041884
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide
SMILESCCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-14(17)16-11-13(9-10-15(16)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyXHYODIHHGBANJG-UHFFFAOYSA-N
XLogP2.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.67
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-(5-ethyl-6-oxophenanthridin-9-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide (CID 10041884) is 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide is CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide?
The InChIKey is XHYODIHHGBANJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-14(17)16-11-13(9-10-15(16)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide?
2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(5-ethyl-6-oxophenanthridin-9-yl)acetamide is sourced from PubChem (CID 10041884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).