1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone

C24H25NO4 — CID 165340833

IUPAC1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone
SMILESCC(Cc1ccc(O)cc1)c1ccccc1CNCC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C24H25NO4/c1-16(10-17-6-8-20(26)9-7-17)23-5-3-2-4-18(23)14-25-15-24(29)19-11-21(27)13-22(28)12-19/h2-9,11-13,16,25-28H,10,14-15H2,1H3
InChIKeyMEGXCFJJYADIOX-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.12
Rot. Bonds8

About 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone

1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone (PubChem CID 165340833) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone
PubChem CID165340833
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone
SMILESCC(Cc1ccc(O)cc1)c1ccccc1CNCC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C24H25NO4/c1-16(10-17-6-8-20(26)9-7-17)23-5-3-2-4-18(23)14-25-15-24(29)19-11-21(27)13-22(28)12-19/h2-9,11-13,16,25-28H,10,14-15H2,1H3
InChIKeyMEGXCFJJYADIOX-UHFFFAOYSA-N
XLogP4.12
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone 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

1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone;hydrobromide
CID 3014195
N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide
CID 175230517
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
2-(1-phenylpropan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanone;hydrobromide
CID 138398701
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone (CID 165340833) is 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone is CC(Cc1ccc(O)cc1)c1ccccc1CNCC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone?
The InChIKey is MEGXCFJJYADIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16(10-17-6-8-20(26)9-7-17)23-5-3-2-4-18(23)14-25-15-24(29)19-11-21(27)13-22(28)12-19/h2-9,11-13,16,25-28H,10,14-15H2,1H3.
What are the key properties of 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone?
1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone has a molecular weight of 391.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-2-[[2-[1-(4-hydroxyphenyl)propan-2-yl]phenyl]methylamino]ethanone is sourced from PubChem (CID 165340833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).