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

C17H13NO3 — CID 2871272

IUPACN-(9,10-dioxoanthracen-2-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO3/c1-2-15(19)18-10-7-8-13-14(9-10)17(21)12-6-4-3-5-11(12)16(13)20/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHZOXIFJYTCXYET-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.81
Rot. Bonds2

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

N-(9,10-dioxoanthracen-2-yl)propanamide (PubChem CID 2871272) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)propanamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)propanamide
PubChem CID2871272
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-(9,10-dioxoanthracen-2-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO3/c1-2-15(19)18-10-7-8-13-14(9-10)17(21)12-6-4-3-5-11(12)16(13)20/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHZOXIFJYTCXYET-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.81
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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Related Compounds

N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-(3,4-diphenylphenyl)propanamide
CID 151136333
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
N-[4-[[9,10-dioxo-4-[4-(propanoylamino)anilino]anthracen-1-yl]amino]phenyl]propanamide
CID 21486208
2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 4966865
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 44568765
2-(2-aminoethylsulfanyl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 84553428
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
N-(9,10-dioxoanthracen-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839014
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)propanamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)propanamide (CID 2871272) is N-(9,10-dioxoanthracen-2-yl)propanamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)propanamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)propanamide?
The InChIKey is HZOXIFJYTCXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-2-15(19)18-10-7-8-13-14(9-10)17(21)12-6-4-3-5-11(12)16(13)20/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)propanamide?
N-(9,10-dioxoanthracen-2-yl)propanamide has a molecular weight of 279.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)propanamide is sourced from PubChem (CID 2871272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).