N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide

C13H19NO4 — CID 116860821

IUPACN-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(C(CO)N(C)C(C)=O)c1
InChIInChI=1S/C13H19NO4/c1-9(16)14(2)12(8-15)11-7-10(17-3)5-6-13(11)18-4/h5-7,12,15H,8H2,1-4H3
InChIKeyMPWGMHNCVXBCIB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide

N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide (PubChem CID 116860821) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide
PubChem CID116860821
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(C(CO)N(C)C(C)=O)c1
InChIInChI=1S/C13H19NO4/c1-9(16)14(2)12(8-15)11-7-10(17-3)5-6-13(11)18-4/h5-7,12,15H,8H2,1-4H3
InChIKeyMPWGMHNCVXBCIB-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
CID 116860900
2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
N-[(1R)-1-(2-bromo-5-methoxyphenyl)-2-hydroxyethyl]-N,3-dimethylbut-2-enamide
CID 125144702
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 112704642

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide (CID 116860821) is N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide is COc1ccc(OC)c(C(CO)N(C)C(C)=O)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide?
The InChIKey is MPWGMHNCVXBCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(16)14(2)12(8-15)11-7-10(17-3)5-6-13(11)18-4/h5-7,12,15H,8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide?
N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide is sourced from PubChem (CID 116860821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).