1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one

C25H26N2O2 — CID 21083170

IUPAC1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one
SMILESNCc1ccc(N2C(=O)C(CCC(O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c26-17-18-11-13-21(14-12-18)27-24(20-9-5-2-6-10-20)22(25(27)29)15-16-23(28)19-7-3-1-4-8-19/h1-14,22-24,28H,15-17,26H2
InChIKeyPZRZUEDVBFTTIB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.36
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one

1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one (PubChem CID 21083170) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one
PubChem CID21083170
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one
SMILESNCc1ccc(N2C(=O)C(CCC(O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c26-17-18-11-13-21(14-12-18)27-24(20-9-5-2-6-10-20)22(25(27)29)15-16-23(28)19-7-3-1-4-8-19/h1-14,22-24,28H,15-17,26H2
InChIKeyPZRZUEDVBFTTIB-UHFFFAOYSA-N
XLogP4.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one (CID 21083170) is 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one is NCc1ccc(N2C(=O)C(CCC(O)c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one?
The InChIKey is PZRZUEDVBFTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c26-17-18-11-13-21(14-12-18)27-24(20-9-5-2-6-10-20)22(25(27)29)15-16-23(28)19-7-3-1-4-8-19/h1-14,22-24,28H,15-17,26H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one?
1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-(3-hydroxy-3-phenylpropyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 21083170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).