N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide

C14H21NO3 — CID 112696419

IUPACN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
SMILESCCN(C(=O)C(C)OC)C(C)c1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-5-15(14(17)11(3)18-4)10(2)12-7-6-8-13(16)9-12/h6-11,16H,5H2,1-4H3
InChIKeyHMZSVNDLIIKACY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide

N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide (PubChem CID 112696419) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
PubChem CID112696419
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
SMILESCCN(C(=O)C(C)OC)C(C)c1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-5-15(14(17)11(3)18-4)10(2)12-7-6-8-13(16)9-12/h6-11,16H,5H2,1-4H3
InChIKeyHMZSVNDLIIKACY-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
CID 60609346
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103800325
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
1-(3-hydroxyphenyl)-1-methoxybutan-2-one
CID 83226773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide?
The IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide (CID 112696419) is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide?
The canonical SMILES for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide is CCN(C(=O)C(C)OC)C(C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide?
The InChIKey is HMZSVNDLIIKACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15(14(17)11(3)18-4)10(2)12-7-6-8-13(16)9-12/h6-11,16H,5H2,1-4H3.
What are the key properties of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide?
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 112696419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).