N-(4-anthracen-9-ylphenyl)propanamide

C23H19NO — CID 168954302

IUPACN-(4-anthracen-9-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C23H19NO/c1-2-22(25)24-19-13-11-16(12-14-19)23-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)23/h3-15H,2H2,1H3,(H,24,25)
InChIKeyQCWLSNBDBHXYHD-UHFFFAOYSA-N
MW325.41 g/mol
LogP6.01
Rot. Bonds3

About N-(4-anthracen-9-ylphenyl)propanamide

N-(4-anthracen-9-ylphenyl)propanamide (PubChem CID 168954302) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-anthracen-9-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-anthracen-9-ylphenyl)propanamide
PubChem CID168954302
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC NameN-(4-anthracen-9-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C23H19NO/c1-2-22(25)24-19-13-11-16(12-14-19)23-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)23/h3-15H,2H2,1H3,(H,24,25)
InChIKeyQCWLSNBDBHXYHD-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-anthracen-9-ylphenyl)propanamide?
The IUPAC name of N-(4-anthracen-9-ylphenyl)propanamide (CID 168954302) is N-(4-anthracen-9-ylphenyl)propanamide.
What is the SMILES notation for N-(4-anthracen-9-ylphenyl)propanamide?
The canonical SMILES for N-(4-anthracen-9-ylphenyl)propanamide is CCC(=O)Nc1ccc(-c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-(4-anthracen-9-ylphenyl)propanamide?
The InChIKey is QCWLSNBDBHXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-2-22(25)24-19-13-11-16(12-14-19)23-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)23/h3-15H,2H2,1H3,(H,24,25).
What are the key properties of N-(4-anthracen-9-ylphenyl)propanamide?
N-(4-anthracen-9-ylphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anthracen-9-ylphenyl)propanamide is sourced from PubChem (CID 168954302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).