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

C39H63NO10 — CID 11468182

IUPAC3-(4-hydroxyphenyl)-N-[(2S)-1-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-phenylpropan-2-yl]propanamide
SMILESCC(O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C39H63NO10/c1-28(41)20-45-30(3)22-47-32(5)24-49-34(7)26-50-33(6)25-48-31(4)23-46-29(2)21-44-27-37(19-36-11-9-8-10-12-36)40-39(43)18-15-35-13-16-38(42)17-14-35/h8-14,16-17,28-34,37,41-42H,15,18-27H2,1-7H3,(H,40,43)/t28?,29?,30?,31?,32?,33?,34?,37-/m0/s1
InChIKeyFVIXRGZGYQVHLW-NPCNLUGNSA-N
MW705.93 g/mol
LogP4.88
Rot. Bonds28

About 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

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 (PubChem CID 11468182) has the molecular formula C39H63NO10 and a molecular weight of 705.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(2S)-1-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-phenylpropan-2-yl]propanamide
PubChem CID11468182
Molecular FormulaC39H63NO10
Molecular Weight705.93 g/mol
Exact Mass705.45
IUPAC Name3-(4-hydroxyphenyl)-N-[(2S)-1-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-phenylpropan-2-yl]propanamide
SMILESCC(O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C39H63NO10/c1-28(41)20-45-30(3)22-47-32(5)24-49-34(7)26-50-33(6)25-48-31(4)23-46-29(2)21-44-27-37(19-36-11-9-8-10-12-36)40-39(43)18-15-35-13-16-38(42)17-14-35/h8-14,16-17,28-34,37,41-42H,15,18-27H2,1-7H3,(H,40,43)/t28?,29?,30?,31?,32?,33?,34?,37-/m0/s1
InChIKeyFVIXRGZGYQVHLW-NPCNLUGNSA-N
XLogP4.88
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.93
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 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?
The InChIKey is FVIXRGZGYQVHLW-NPCNLUGNSA-N. The full InChI is InChI=1S/C39H63NO10/c1-28(41)20-45-30(3)22-47-32(5)24-49-34(7)26-50-33(6)25-48-31(4)23-46-29(2)21-44-27-37(19-36-11-9-8-10-12-36)40-39(43)18-15-35-13-16-38(42)17-14-35/h8-14,16-17,28-34,37,41-42H,15,18-27H2,1-7H3,(H,40,43)/t28?,29?,30?,31?,32?,33?,34?,37-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 705.93 g/mol, XLogP of 4.88, 28 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11468182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).