(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide

C26H29NO3 — CID 57123573

IUPAC(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
SMILESO=C(CC[C@@H](O)CCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C26H29NO3/c28-24(15-18-26(29)27-19-22-7-3-1-4-8-22)14-11-21-12-16-25(17-13-21)30-20-23-9-5-2-6-10-23/h1-10,12-13,16-17,24,28H,11,14-15,18-20H2,(H,27,29)/t24-/m0/s1
InChIKeyFRWXYYSIENHXPO-DEOSSOPVSA-N
MW403.52 g/mol
LogP4.66
Rot. Bonds11

About (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide

(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide (PubChem CID 57123573) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide.

Molecular Properties

Compound Name(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
PubChem CID57123573
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
SMILESO=C(CC[C@@H](O)CCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C26H29NO3/c28-24(15-18-26(29)27-19-22-7-3-1-4-8-22)14-11-21-12-16-25(17-13-21)30-20-23-9-5-2-6-10-23/h1-10,12-13,16-17,24,28H,11,14-15,18-20H2,(H,27,29)/t24-/m0/s1
InChIKeyFRWXYYSIENHXPO-DEOSSOPVSA-N
XLogP4.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
CID 54443194
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
CID 135020165
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
methyl 3-hydroxy-4-methyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666710

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide?
The IUPAC name of (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide (CID 57123573) is (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide.
What is the SMILES notation for (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide?
The canonical SMILES for (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide is O=C(CC[C@@H](O)CCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide?
The InChIKey is FRWXYYSIENHXPO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29NO3/c28-24(15-18-26(29)27-19-22-7-3-1-4-8-22)14-11-21-12-16-25(17-13-21)30-20-23-9-5-2-6-10-23/h1-10,12-13,16-17,24,28H,11,14-15,18-20H2,(H,27,29)/t24-/m0/s1.
What are the key properties of (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide?
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide has a molecular weight of 403.52 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide is sourced from PubChem (CID 57123573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).