N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide

C14H21NO3 — CID 115139170

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCO)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-6-5-12(9-11(13)2)10-15(3)14(17)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyZLYIKACJWDFKGQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds6

About N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139170) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139170
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCO)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-6-5-12(9-11(13)2)10-15(3)14(17)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyZLYIKACJWDFKGQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
CID 115191970
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
4-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]butan-2-one
CID 115236050
3-[(4-ethoxy-3-methylphenyl)methyl-methylamino]propane-1-thiol
CID 115225008
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139170) is N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide is CCOc1ccc(CN(C)C(=O)CCO)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is ZLYIKACJWDFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13-6-5-12(9-11(13)2)10-15(3)14(17)7-8-16/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).