2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide

C14H21NO4 — CID 43309787

IUPAC2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)N(C)CC
InChIInChI=1S/C14H21NO4/c1-4-15(3)14(17)10-19-12-7-6-11(9-16)8-13(12)18-5-2/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyHJAKGXKVXPZVDV-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.43
Rot. Bonds7

About 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide

2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide (PubChem CID 43309787) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
PubChem CID43309787
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)N(C)CC
InChIInChI=1S/C14H21NO4/c1-4-15(3)14(17)10-19-12-7-6-11(9-16)8-13(12)18-5-2/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyHJAKGXKVXPZVDV-UHFFFAOYSA-N
XLogP1.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
N-ethyl-2-[2-methoxy-5-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309459
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309454
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide (CID 43309787) is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide is CCOc1cc(CO)ccc1OCC(=O)N(C)CC.
What is the InChIKey of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is HJAKGXKVXPZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-15(3)14(17)10-19-12-7-6-11(9-16)8-13(12)18-5-2/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide?
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 267.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).