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

C72H99N3O15 — CID 158849151

IUPACN-[(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
SMILESCC(O)CO[C@H](C)COC[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1
InChIInChI=1S/3C24H33NO5/c3*1-18(26)15-30-19(2)16-29-17-22(14-21-8-11-23(27)12-9-21)25-24(28)13-10-20-6-4-3-5-7-20/h3*3-9,11-12,18-19,22,26-27H,10,13-17H2,1-2H3,(H,25,28)/t18?,19-,22+;18-,19+,22-;18-,19-,22+/m110/s1
InChIKeyIZFKTIBXEDIJHT-LEXMZHTLSA-N
MW1246.59 g/mol
LogP8.56
Rot. Bonds39

About 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

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 (PubChem CID 158849151) has the molecular formula C72H99N3O15 and a molecular weight of 1246.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158849151
Molecular FormulaC72H99N3O15
Molecular Weight1246.59 g/mol
Exact Mass1245.71
IUPAC NameN-[(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
SMILESCC(O)CO[C@H](C)COC[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1
InChIInChI=1S/3C24H33NO5/c3*1-18(26)15-30-19(2)16-29-17-22(14-21-8-11-23(27)12-9-21)25-24(28)13-10-20-6-4-3-5-7-20/h3*3-9,11-12,18-19,22,26-27H,10,13-17H2,1-2H3,(H,25,28)/t18?,19-,22+;18-,19+,22-;18-,19-,22+/m110/s1
InChIKeyIZFKTIBXEDIJHT-LEXMZHTLSA-N
XLogP8.56
TPSA264.06 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001246.59
LogP ≤ 58.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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-[1-(4-hydroxyphenyl)-3-(2-hydroxypropoxy)propan-2-yl]-3-phenylpropanamide;sulfane
CID 158309223
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
3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
CID 58668673
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-[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
(2S)-N-(2-amino-2-oxoethyl)-2-[[(2R)-2-[3-(4-hydroxyphenyl)propanoylamino]propyl]amino]-3-phenylpropanamide
CID 10048115
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
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)CO[C@H](C)COC[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.C[C@H](O)CO[C@@H](C)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is IZFKTIBXEDIJHT-LEXMZHTLSA-N. The full InChI is InChI=1S/3C24H33NO5/c3*1-18(26)15-30-19(2)16-29-17-22(14-21-8-11-23(27)12-9-21)25-24(28)13-10-20-6-4-3-5-7-20/h3*3-9,11-12,18-19,22,26-27H,10,13-17H2,1-2H3,(H,25,28)/t18?,19-,22+;18-,19+,22-;18-,19-,22+/m110/s1.
What are the key properties of 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?
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 has a molecular weight of 1246.59 g/mol, XLogP of 8.56, 39 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158849151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).