3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide

C12H17NO3 — CID 115138980

IUPAC3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C)cc1CNC(=O)CCO
InChIInChI=1S/C12H17NO3/c1-9-3-4-11(16-2)10(7-9)8-13-12(15)5-6-14/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyKNGMLPDGARJMEZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds5

About 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide

3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide (PubChem CID 115138980) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
PubChem CID115138980
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C)cc1CNC(=O)CCO
InChIInChI=1S/C12H17NO3/c1-9-3-4-11(16-2)10(7-9)8-13-12(15)5-6-14/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyKNGMLPDGARJMEZ-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-3-sulfanylpropanamide
CID 115167821
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139022
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
CID 60707492
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N-ethyl-2-[(2-methoxy-5-methylphenyl)methylamino]acetamide
CID 43406781
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide (CID 115138980) is 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide is COc1ccc(C)cc1CNC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide?
The InChIKey is KNGMLPDGARJMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-4-11(16-2)10(7-9)8-13-12(15)5-6-14/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide?
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide has a molecular weight of 223.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide is sourced from PubChem (CID 115138980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).