3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide

C14H21NO3 — CID 115139401

IUPAC3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C)cc1CCN(C)C(=O)CCO
InChIInChI=1S/C14H21NO3/c1-11-4-5-13(18-3)12(10-11)6-8-15(2)14(17)7-9-16/h4-5,10,16H,6-9H2,1-3H3
InChIKeyRMLRHXSANCBBQB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.39
Rot. Bonds6

About 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide

3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide (PubChem CID 115139401) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
PubChem CID115139401
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C)cc1CCN(C)C(=O)CCO
InChIInChI=1S/C14H21NO3/c1-11-4-5-13(18-3)12(10-11)6-8-15(2)14(17)7-9-16/h4-5,10,16H,6-9H2,1-3H3
InChIKeyRMLRHXSANCBBQB-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094
2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 115140161
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159073
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide (CID 115139401) is 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide is COc1ccc(C)cc1CCN(C)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide?
The InChIKey is RMLRHXSANCBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-4-5-13(18-3)12(10-11)6-8-15(2)14(17)7-9-16/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide?
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 115139401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).