N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide

C14H21NO4 — CID 112511023

IUPACN-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCOc1ccc(C(O)CNC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9(2)14(17)15-8-12(16)11-6-5-10(18-3)7-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyFEKMRKSMBPBHLS-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide

N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide (PubChem CID 112511023) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
PubChem CID112511023
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCOc1ccc(C(O)CNC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9(2)14(17)15-8-12(16)11-6-5-10(18-3)7-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyFEKMRKSMBPBHLS-UHFFFAOYSA-N
XLogP1.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide (CID 112511023) is N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide is COc1ccc(C(O)CNC(=O)C(C)C)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide?
The InChIKey is FEKMRKSMBPBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)14(17)15-8-12(16)11-6-5-10(18-3)7-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide?
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide has a molecular weight of 267.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide is sourced from PubChem (CID 112511023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).