N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide

C14H21NO3 — CID 79200511

IUPACN-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)CCCO
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-5-4-7-12(13)11-15(2)14(17)9-6-10-16/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyFSOZENNYPJMEMC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide

N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide (PubChem CID 79200511) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
PubChem CID79200511
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)CCCO
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-5-4-7-12(13)11-15(2)14(17)9-6-10-16/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyFSOZENNYPJMEMC-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
N-[2-[(2-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 51087801
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide (CID 79200511) is N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide is CCOc1ccccc1CN(C)C(=O)CCCO.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The InChIKey is FSOZENNYPJMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-8-5-4-7-12(13)11-15(2)14(17)9-6-10-16/h4-5,7-8,16H,3,6,9-11H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 79200511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).