N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide

C23H17NO4 — CID 10499446

IUPACN-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H17NO4/c25-21(14-28-13-15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-19(17)22(26)23(27)20(18)12-16/h1-12H,13-14H2,(H,24,25)
InChIKeyHOABQFONODKQTP-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.89
Rot. Bonds5

About N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide

N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide (PubChem CID 10499446) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide
PubChem CID10499446
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC NameN-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H17NO4/c25-21(14-28-13-15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-19(17)22(26)23(27)20(18)12-16/h1-12H,13-14H2,(H,24,25)
InChIKeyHOABQFONODKQTP-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide (CID 10499446) is N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide?
The InChIKey is HOABQFONODKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-21(14-28-13-15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-19(17)22(26)23(27)20(18)12-16/h1-12H,13-14H2,(H,24,25).
What are the key properties of N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide?
N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide has a molecular weight of 371.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxophenanthren-2-yl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 10499446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).