3-perylen-3-ylpropanamide

C23H17NO — CID 149172575

IUPAC3-perylen-3-ylpropanamide
SMILESNC(=O)CCc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C23H17NO/c24-21(25)13-11-14-10-12-20-18-8-2-5-15-4-1-7-17(22(15)18)19-9-3-6-16(14)23(19)20/h1-10,12H,11,13H2,(H2,24,25)
InChIKeyWZIRSZDZZCVIBF-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.16
Rot. Bonds3

About 3-perylen-3-ylpropanamide

3-perylen-3-ylpropanamide (PubChem CID 149172575) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-perylen-3-ylpropanamide.

Molecular Properties

Compound Name3-perylen-3-ylpropanamide
PubChem CID149172575
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name3-perylen-3-ylpropanamide
SMILESNC(=O)CCc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C23H17NO/c24-21(25)13-11-14-10-12-20-18-8-2-5-15-4-1-7-17(22(15)18)19-9-3-6-16(14)23(19)20/h1-10,12H,11,13H2,(H2,24,25)
InChIKeyWZIRSZDZZCVIBF-UHFFFAOYSA-N
XLogP5.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-perylen-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-perylen-3-yltridecanoic acid
CID 71347967
carbamic acid;perylene
CID 22363514
2-methylpropyl perylen-3-ylmethyl carbonate;perylen-3-ylmethanol
CID 167564954
perylen-3-ylmethanol;perylen-3-ylmethyl benzoate
CID 167668405
(2,5-dioxopyrrolidin-1-yl) 4-perylen-3-ylbutanoate
CID 71374516
4-pyren-1-ylbutanoic acid
CID 158173508
3-isoquinolin-5-ylpropanamide
CID 82578287
phenyl 2-perylen-3-ylacetate
CID 170943266
4-(4,5-dioxopyren-1-yl)butanoic acid
CID 174341530
[(2S,3S)-4-hydroxy-3-(3-perylen-3-ylpropanoylamino)butan-2-yl] dihydrogen phosphate
CID 102523285
2-methylidene-5-perylen-1-ylpentanoic acid
CID 21072195
3-(3-methylisoquinolin-5-yl)propanamide
CID 82578305

Frequently Asked Questions

What is the IUPAC name of 3-perylen-3-ylpropanamide?
The IUPAC name of 3-perylen-3-ylpropanamide (CID 149172575) is 3-perylen-3-ylpropanamide.
What is the SMILES notation for 3-perylen-3-ylpropanamide?
The canonical SMILES for 3-perylen-3-ylpropanamide is NC(=O)CCc1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of 3-perylen-3-ylpropanamide?
The InChIKey is WZIRSZDZZCVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c24-21(25)13-11-14-10-12-20-18-8-2-5-15-4-1-7-17(22(15)18)19-9-3-6-16(14)23(19)20/h1-10,12H,11,13H2,(H2,24,25).
What are the key properties of 3-perylen-3-ylpropanamide?
3-perylen-3-ylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-perylen-3-ylpropanamide is sourced from PubChem (CID 149172575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).