3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide

C22H29NO3 — CID 58668673

IUPAC3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
SMILESCC(C)COCC(Cc1ccccc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-17(2)15-26-16-20(14-19-6-4-3-5-7-19)23-22(25)13-10-18-8-11-21(24)12-9-18/h3-9,11-12,17,20,24H,10,13-16H2,1-2H3,(H,23,25)
InChIKeyHEFZTHUOIOHFGP-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.72
Rot. Bonds10

About 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide

3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide (PubChem CID 58668673) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
PubChem CID58668673
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
SMILESCC(C)COCC(Cc1ccccc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-17(2)15-26-16-20(14-19-6-4-3-5-7-19)23-22(25)13-10-18-8-11-21(24)12-9-18/h3-9,11-12,17,20,24H,10,13-16H2,1-2H3,(H,23,25)
InChIKeyHEFZTHUOIOHFGP-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-hydroxyphenyl)-3-(2-hydroxypropoxy)propan-2-yl]-3-phenylpropanamide;sulfane
CID 158309223
N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-2-[(2S)-2-hydroxypropoxy]propoxy]propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-2-(2-hydroxypropoxy)propoxy]propan-2-yl]-3-phenylpropanamide
CID 158849151
3-(4-hydroxyphenyl)-N-[(2S)-1-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-phenylpropan-2-yl]propanamide
CID 11468182
N-[(2R)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide
CID 159049169
N-[(2S)-1-(4-hydroxyphenyl)-3-(2-hydroxypropoxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-methylphenyl)-3-[2-[(4-methylphenyl)methoxy]propoxy]propan-2-yl]-3-phenylpropanamide
CID 160961052
N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane
CID 161008606
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-methylbutanoic acid
CID 24984495
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate
CID 42632624
(2S)-N-(2-amino-2-oxoethyl)-2-[[(2R)-2-[3-(4-hydroxyphenyl)propanoylamino]propyl]amino]-3-phenylpropanamide
CID 10048115
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide (CID 58668673) is 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide is CC(C)COCC(Cc1ccccc1)NC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide?
The InChIKey is HEFZTHUOIOHFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17(2)15-26-16-20(14-19-6-4-3-5-7-19)23-22(25)13-10-18-8-11-21(24)12-9-18/h3-9,11-12,17,20,24H,10,13-16H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide?
3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 58668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).