N-(9,10-dioxoanthracen-1-yl)decanamide

C24H27NO3 — CID 4282760

IUPACN-(9,10-dioxoanthracen-1-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H27NO3/c1-2-3-4-5-6-7-8-16-21(26)25-20-15-11-14-19-22(20)24(28)18-13-10-9-12-17(18)23(19)27/h9-15H,2-8,16H2,1H3,(H,25,26)
InChIKeyAOUYNBYQVJYOBZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.54
Rot. Bonds9

About N-(9,10-dioxoanthracen-1-yl)decanamide

N-(9,10-dioxoanthracen-1-yl)decanamide (PubChem CID 4282760) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)decanamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)decanamide
PubChem CID4282760
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-(9,10-dioxoanthracen-1-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H27NO3/c1-2-3-4-5-6-7-8-16-21(26)25-20-15-11-14-19-22(20)24(28)18-13-10-9-12-17(18)23(19)27/h9-15H,2-8,16H2,1H3,(H,25,26)
InChIKeyAOUYNBYQVJYOBZ-UHFFFAOYSA-N
XLogP5.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)decanamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)decanamide (CID 4282760) is N-(9,10-dioxoanthracen-1-yl)decanamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)decanamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)decanamide is CCCCCCCCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)decanamide?
The InChIKey is AOUYNBYQVJYOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-3-4-5-6-7-8-16-21(26)25-20-15-11-14-19-22(20)24(28)18-13-10-9-12-17(18)23(19)27/h9-15H,2-8,16H2,1H3,(H,25,26).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)decanamide?
N-(9,10-dioxoanthracen-1-yl)decanamide has a molecular weight of 377.48 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)decanamide is sourced from PubChem (CID 4282760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).