(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide

C11H15NO3 — CID 175748311

IUPAC(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)O)cc1
InChIInChI=1S/C11H15NO3/c1-8(13)11(14)12-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQTHZGSCLJLGTJK-QMMMGPOBSA-N
MW209.24 g/mol
LogP0.69
Rot. Bonds4

About (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 175748311) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID175748311
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)O)cc1
InChIInChI=1S/C11H15NO3/c1-8(13)11(14)12-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQTHZGSCLJLGTJK-QMMMGPOBSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187709
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide (CID 175748311) is (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)O)cc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is QTHZGSCLJLGTJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)11(14)12-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 209.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 175748311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).