1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

C25H27NO3 — CID 10715376

IUPAC1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CNCc1ccccc1
InChIInChI=1S/C25H27NO3/c27-22(18-26-17-21-11-5-2-6-12-21)19-29-25-14-8-7-13-23(25)24(28)16-15-20-9-3-1-4-10-20/h1-14,22,26-27H,15-19H2
InChIKeyLKPMNSBIUSAYFC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.03
Rot. Bonds11

About 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 10715376) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
PubChem CID10715376
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CNCc1ccccc1
InChIInChI=1S/C25H27NO3/c27-22(18-26-17-21-11-5-2-6-12-21)19-29-25-14-8-7-13-23(25)24(28)16-15-20-9-3-1-4-10-20/h1-14,22,26-27H,15-19H2
InChIKeyLKPMNSBIUSAYFC-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (CID 10715376) is 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccccc1OCC(O)CNCc1ccccc1.
What is the InChIKey of 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is LKPMNSBIUSAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c27-22(18-26-17-21-11-5-2-6-12-21)19-29-25-14-8-7-13-23(25)24(28)16-15-20-9-3-1-4-10-20/h1-14,22,26-27H,15-19H2.
What are the key properties of 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 389.50 g/mol, XLogP of 4.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 10715376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).