N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide

C14H21NO4 — CID 115141026

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(OC)c(CCN(C)C(=O)C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-10(16)14(17)15(2)8-7-11-9-12(18-3)5-6-13(11)19-4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyAILVNUHFMRLPMW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115141026) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
PubChem CID115141026
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(OC)c(CCN(C)C(=O)C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-10(16)14(17)15(2)8-7-11-9-12(18-3)5-6-13(11)19-4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyAILVNUHFMRLPMW-UHFFFAOYSA-N
XLogP1.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide (CID 115141026) is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide is COc1ccc(OC)c(CCN(C)C(=O)C(C)O)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is AILVNUHFMRLPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(16)14(17)15(2)8-7-11-9-12(18-3)5-6-13(11)19-4/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115141026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).