3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide

C13H19NO3 — CID 115139094

IUPAC3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
SMILESCOc1c(C)cc(CNC(=O)CCO)cc1C
InChIInChI=1S/C13H19NO3/c1-9-6-11(7-10(2)13(9)17-3)8-14-12(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyBJRWTIKXCZMNHO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds5

About 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide

3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide (PubChem CID 115139094) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
PubChem CID115139094
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
SMILESCOc1c(C)cc(CNC(=O)CCO)cc1C
InChIInChI=1S/C13H19NO3/c1-9-6-11(7-10(2)13(9)17-3)8-14-12(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyBJRWTIKXCZMNHO-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139022
5-[(4-methoxy-3,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219065
1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181609
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide (CID 115139094) is 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide is COc1c(C)cc(CNC(=O)CCO)cc1C.
What is the InChIKey of 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide?
The InChIKey is BJRWTIKXCZMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-11(7-10(2)13(9)17-3)8-14-12(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide?
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115139094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).