2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one

C25H32N2O2 — CID 24867053

IUPAC2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one
SMILESO=C1CN(CCCNCc2ccccc2)Cc2ccccc2C1(O)C1CCCC1
InChIInChI=1S/C25H32N2O2/c28-24-19-27(16-8-15-26-17-20-9-2-1-3-10-20)18-21-11-4-7-14-23(21)25(24,29)22-12-5-6-13-22/h1-4,7,9-11,14,22,26,29H,5-6,8,12-13,15-19H2
InChIKeyFWOQXZGKADDGLL-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.63
Rot. Bonds7

About 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one

2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one (PubChem CID 24867053) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one
PubChem CID24867053
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one
SMILESO=C1CN(CCCNCc2ccccc2)Cc2ccccc2C1(O)C1CCCC1
InChIInChI=1S/C25H32N2O2/c28-24-19-27(16-8-15-26-17-20-9-2-1-3-10-20)18-21-11-4-7-14-23(21)25(24,29)22-12-5-6-13-22/h1-4,7,9-11,14,22,26,29H,5-6,8,12-13,15-19H2
InChIKeyFWOQXZGKADDGLL-UHFFFAOYSA-N
XLogP3.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one?
The IUPAC name of 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one (CID 24867053) is 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one?
The canonical SMILES for 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one is O=C1CN(CCCNCc2ccccc2)Cc2ccccc2C1(O)C1CCCC1.
What is the InChIKey of 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one?
The InChIKey is FWOQXZGKADDGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-24-19-27(16-8-15-26-17-20-9-2-1-3-10-20)18-21-11-4-7-14-23(21)25(24,29)22-12-5-6-13-22/h1-4,7,9-11,14,22,26,29H,5-6,8,12-13,15-19H2.
What are the key properties of 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one?
2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one has a molecular weight of 392.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)propyl]-5-cyclopentyl-5-hydroxy-1,3-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 24867053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).