2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide

C12H17NO3 — CID 115140469

IUPAC2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)O)cc1C
InChIInChI=1S/C12H17NO3/c1-8-7-10(5-6-11(8)16-4)13(3)12(15)9(2)14/h5-7,9,14H,1-4H3
InChIKeyCZEBJYSCSZBIPH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds3

About 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide

2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide (PubChem CID 115140469) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
PubChem CID115140469
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)O)cc1C
InChIInChI=1S/C12H17NO3/c1-8-7-10(5-6-11(8)16-4)13(3)12(15)9(2)14/h5-7,9,14H,1-4H3
InChIKeyCZEBJYSCSZBIPH-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
(2S)-2-(4-methoxy-N,3-dimethylanilino)propanoic acid
CID 91455693
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-hydroxy-N-(4-methoxy-2,3-dimethylphenyl)-N-methylpropanamide
CID 115140531
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
2-[(4-methoxy-N,3-dimethylanilino)methyl]butanoic acid
CID 115249788
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide?
The IUPAC name of 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide (CID 115140469) is 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide is COc1ccc(N(C)C(=O)C(C)O)cc1C.
What is the InChIKey of 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide?
The InChIKey is CZEBJYSCSZBIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-10(5-6-11(8)16-4)13(3)12(15)9(2)14/h5-7,9,14H,1-4H3.
What are the key properties of 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide?
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115140469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).