N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide

C13H19NO4 — CID 115140079

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
SMILESCOc1cc(CCNC(=O)CO)c(OC)cc1C
InChIInChI=1S/C13H19NO4/c1-9-6-12(18-3)10(7-11(9)17-2)4-5-14-13(16)8-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyHEKOJTYNAYFVHL-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.66
Rot. Bonds6

About N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide (PubChem CID 115140079) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
PubChem CID115140079
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
SMILESCOc1cc(CCNC(=O)CO)c(OC)cc1C
InChIInChI=1S/C13H19NO4/c1-9-6-12(18-3)10(7-11(9)17-2)4-5-14-13(16)8-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyHEKOJTYNAYFVHL-UHFFFAOYSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide (CID 115140079) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide is COc1cc(CCNC(=O)CO)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide?
The InChIKey is HEKOJTYNAYFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-6-12(18-3)10(7-11(9)17-2)4-5-14-13(16)8-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide has a molecular weight of 253.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 115140079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).