3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

C35H50N2O5Si — CID 70946812

IUPAC3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@H](CC(C)(C)[Si](C)(C)O)c3ccc(O)c(CO)c3)c2)c1
InChIInChI=1S/C35H50N2O5Si/c1-34(2,37-23-30(22-35(3,4)43(6,7)41)27-14-15-32(39)29(20-27)24-38)21-26-11-8-12-28(18-26)33(40)36-17-16-25-10-9-13-31(19-25)42-5/h8-15,18-20,30,37-39,41H,16-17,21-24H2,1-7H3,(H,36,40)/t30-/m0/s1
InChIKeyCOHBVCOIYRXYQW-PMERELPUSA-N
MW606.88 g/mol
LogP5.93
Rot. Bonds15

About 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 70946812) has the molecular formula C35H50N2O5Si and a molecular weight of 606.88 g/mol. Its IUPAC name is 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID70946812
Molecular FormulaC35H50N2O5Si
Molecular Weight606.88 g/mol
Exact Mass606.35
IUPAC Name3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@H](CC(C)(C)[Si](C)(C)O)c3ccc(O)c(CO)c3)c2)c1
InChIInChI=1S/C35H50N2O5Si/c1-34(2,37-23-30(22-35(3,4)43(6,7)41)27-14-15-32(39)29(20-27)24-38)21-26-11-8-12-28(18-26)33(40)36-17-16-25-10-9-13-31(19-25)42-5/h8-15,18-20,30,37-39,41H,16-17,21-24H2,1-7H3,(H,36,40)/t30-/m0/s1
InChIKeyCOHBVCOIYRXYQW-PMERELPUSA-N
XLogP5.93
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.88
LogP ≤ 55.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]phenyl]-N-methylacetamide
CID 70946808
N-[2-(4-ethoxyphenyl)ethyl]-3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]benzamide
CID 11443539
3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 11294519
N-[(4-chlorophenyl)methyl]-3-[2-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]benzamide
CID 69027070
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-[[[2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 68877099
[3-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl] propanoate
CID 91268614
N-[(2,6-dimethoxyphenyl)methyl]-2-[3-[2-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
CID 69024114
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-[2-(4-methylphenyl)ethyl]benzamide
CID 143112752
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 70946812) is 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@H](CC(C)(C)[Si](C)(C)O)c3ccc(O)c(CO)c3)c2)c1.
What is the InChIKey of 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is COHBVCOIYRXYQW-PMERELPUSA-N. The full InChI is InChI=1S/C35H50N2O5Si/c1-34(2,37-23-30(22-35(3,4)43(6,7)41)27-14-15-32(39)29(20-27)24-38)21-26-11-8-12-28(18-26)33(40)36-17-16-25-10-9-13-31(19-25)42-5/h8-15,18-20,30,37-39,41H,16-17,21-24H2,1-7H3,(H,36,40)/t30-/m0/s1.
What are the key properties of 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 606.88 g/mol, XLogP of 5.93, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]-2-methylpropyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 70946812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).