2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide

C27H32N2O5 — CID 70576422

IUPAC2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide
SMILESCOc1ccccc1CCC(O)CNCC(Cc1ccccc1)Oc1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C27H32N2O5/c1-33-26-10-6-5-9-20(26)11-12-21(30)17-29-18-23(15-19-7-3-2-4-8-19)34-22-13-14-25(31)24(16-22)27(28)32/h2-10,13-14,16,21,23,29-31H,11-12,15,17-18H2,1H3,(H2,28,32)
InChIKeyQJOHMOOOWPFNHP-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.07
Rot. Bonds13

About 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide

2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide (PubChem CID 70576422) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide
PubChem CID70576422
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide
SMILESCOc1ccccc1CCC(O)CNCC(Cc1ccccc1)Oc1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C27H32N2O5/c1-33-26-10-6-5-9-20(26)11-12-21(30)17-29-18-23(15-19-7-3-2-4-8-19)34-22-13-14-25(31)24(16-22)27(28)32/h2-10,13-14,16,21,23,29-31H,11-12,15,17-18H2,1H3,(H2,28,32)
InChIKeyQJOHMOOOWPFNHP-UHFFFAOYSA-N
XLogP3.07
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide
CID 70575623
4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
CID 112517754
4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one
CID 70434637
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 70386564
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide?
The IUPAC name of 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide (CID 70576422) is 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide.
What is the SMILES notation for 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide?
The canonical SMILES for 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide is COc1ccccc1CCC(O)CNCC(Cc1ccccc1)Oc1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide?
The InChIKey is QJOHMOOOWPFNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-33-26-10-6-5-9-20(26)11-12-21(30)17-29-18-23(15-19-7-3-2-4-8-19)34-22-13-14-25(31)24(16-22)27(28)32/h2-10,13-14,16,21,23,29-31H,11-12,15,17-18H2,1H3,(H2,28,32).
What are the key properties of 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide?
2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide has a molecular weight of 464.56 g/mol, XLogP of 3.07, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide is sourced from PubChem (CID 70576422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).