2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide

C19H17NO3 — CID 2752532

IUPAC2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
SMILESCc1ccc2c(c1NC(=O)C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO3/c1-10(2)19(23)20-16-11(3)8-9-14-15(16)18(22)13-7-5-4-6-12(13)17(14)21/h4-10H,1-3H3,(H,20,23)
InChIKeyGPUXFMDYVQPKEV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.36
Rot. Bonds2

About 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide

2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide (PubChem CID 2752532) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
PubChem CID2752532
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
SMILESCc1ccc2c(c1NC(=O)C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO3/c1-10(2)19(23)20-16-11(3)8-9-14-15(16)18(22)13-7-5-4-6-12(13)17(14)21/h4-10H,1-3H3,(H,20,23)
InChIKeyGPUXFMDYVQPKEV-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide (CID 2752532) is 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide is Cc1ccc2c(c1NC(=O)C(C)C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide?
The InChIKey is GPUXFMDYVQPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-10(2)19(23)20-16-11(3)8-9-14-15(16)18(22)13-7-5-4-6-12(13)17(14)21/h4-10H,1-3H3,(H,20,23).
What are the key properties of 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide?
2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide is sourced from PubChem (CID 2752532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).