1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone

C25H27NO3 — CID 55361614

IUPAC1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-20(27)23-12-14-25(15-13-23)29-19-24(28)18-26(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3
InChIKeyBZWZQAHPOHGNNP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.33
Rot. Bonds10

About 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone

1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 55361614) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
PubChem CID55361614
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-20(27)23-12-14-25(15-13-23)29-19-24(28)18-26(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3
InChIKeyBZWZQAHPOHGNNP-UHFFFAOYSA-N
XLogP4.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
1-[4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]ethanone
CID 19809079
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-[4-[3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 4834526
1-[4-[(2R)-3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2577019
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone (CID 55361614) is 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is BZWZQAHPOHGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-20(27)23-12-14-25(15-13-23)29-19-24(28)18-26(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3.
What are the key properties of 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone?
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 389.50 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 55361614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).