N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide

C19H23NO3 — CID 110001590

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-17(23-18-12-8-7-9-14(18)2)19(22)20-16(13-21)15-10-5-4-6-11-15/h4-12,16-17,21H,3,13H2,1-2H3,(H,20,22)/t16-,17?/m1/s1
InChIKeyJJYQZZKHIBVMRK-TZHYSIJRSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide (PubChem CID 110001590) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
PubChem CID110001590
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-17(23-18-12-8-7-9-14(18)2)19(22)20-16(13-21)15-10-5-4-6-11-15/h4-12,16-17,21H,3,13H2,1-2H3,(H,20,22)/t16-,17?/m1/s1
InChIKeyJJYQZZKHIBVMRK-TZHYSIJRSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide (CID 110001590) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is JJYQZZKHIBVMRK-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-17(23-18-12-8-7-9-14(18)2)19(22)20-16(13-21)15-10-5-4-6-11-15/h4-12,16-17,21H,3,13H2,1-2H3,(H,20,22)/t16-,17?/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 110001590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).