N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide

C37H35N3O6 — CID 11365555

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccccc1OCc1cccc(COc2ccccc2C(=O)N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C37H35N3O6/c41-22-32(26-12-3-1-4-13-26)39-36(43)30-18-7-9-20-34(30)45-24-28-16-11-17-29(38-28)25-46-35-21-10-8-19-31(35)37(44)40-33(23-42)27-14-5-2-6-15-27/h1-21,32-33,41-42H,22-25H2,(H,39,43)(H,40,44)/t32-,33-/m0/s1
InChIKeyIYMWHUXSGOFZLR-LQJZCPKCSA-N
MW617.70 g/mol
LogP5.17
Rot. Bonds14

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide (PubChem CID 11365555) has the molecular formula C37H35N3O6 and a molecular weight of 617.70 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
PubChem CID11365555
Molecular FormulaC37H35N3O6
Molecular Weight617.70 g/mol
Exact Mass617.25
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccccc1OCc1cccc(COc2ccccc2C(=O)N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C37H35N3O6/c41-22-32(26-12-3-1-4-13-26)39-36(43)30-18-7-9-20-34(30)45-24-28-16-11-17-29(38-28)25-46-35-21-10-8-19-31(35)37(44)40-33(23-42)27-14-5-2-6-15-27/h1-21,32-33,41-42H,22-25H2,(H,39,43)(H,40,44)/t32-,33-/m0/s1
InChIKeyIYMWHUXSGOFZLR-LQJZCPKCSA-N
XLogP5.17
TPSA130.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.70
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide (CID 11365555) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide is O=C(N[C@@H](CO)c1ccccc1)c1ccccc1OCc1cccc(COc2ccccc2C(=O)N[C@@H](CO)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide?
The InChIKey is IYMWHUXSGOFZLR-LQJZCPKCSA-N. The full InChI is InChI=1S/C37H35N3O6/c41-22-32(26-12-3-1-4-13-26)39-36(43)30-18-7-9-20-34(30)45-24-28-16-11-17-29(38-28)25-46-35-21-10-8-19-31(35)37(44)40-33(23-42)27-14-5-2-6-15-27/h1-21,32-33,41-42H,22-25H2,(H,39,43)(H,40,44)/t32-,33-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide has a molecular weight of 617.70 g/mol, XLogP of 5.17, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide is sourced from PubChem (CID 11365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).