(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide

C21H27NO4 — CID 135020165

IUPAC(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
SMILESCOc1ccc(CNC(=O)CC[C@H](OCc2ccccc2)[C@@H](C)O)cc1
InChIInChI=1S/C21H27NO4/c1-16(23)20(26-15-18-6-4-3-5-7-18)12-13-21(24)22-14-17-8-10-19(25-2)11-9-17/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1
InChIKeyAETVISZVQYQPQK-UZLBHIALSA-N
MW357.45 g/mol
LogP3.06
Rot. Bonds10

About (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide

(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide (PubChem CID 135020165) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
PubChem CID135020165
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
SMILESCOc1ccc(CNC(=O)CC[C@H](OCc2ccccc2)[C@@H](C)O)cc1
InChIInChI=1S/C21H27NO4/c1-16(23)20(26-15-18-6-4-3-5-7-18)12-13-21(24)22-14-17-8-10-19(25-2)11-9-17/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1
InChIKeyAETVISZVQYQPQK-UZLBHIALSA-N
XLogP3.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxytridecanamide
CID 102479875
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide
CID 10519970
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide?
The IUPAC name of (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide (CID 135020165) is (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide.
What is the SMILES notation for (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide?
The canonical SMILES for (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide is COc1ccc(CNC(=O)CC[C@H](OCc2ccccc2)[C@@H](C)O)cc1.
What is the InChIKey of (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide?
The InChIKey is AETVISZVQYQPQK-UZLBHIALSA-N. The full InChI is InChI=1S/C21H27NO4/c1-16(23)20(26-15-18-6-4-3-5-7-18)12-13-21(24)22-14-17-8-10-19(25-2)11-9-17/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1.
What are the key properties of (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide?
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide has a molecular weight of 357.45 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide is sourced from PubChem (CID 135020165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).