N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide

C13H19NO4 — CID 43309789

IUPACN-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(CO)ccc1OC
InChIInChI=1S/C13H19NO4/c1-4-14(2)13(16)9-18-12-7-10(8-15)5-6-11(12)17-3/h5-7,15H,4,8-9H2,1-3H3
InChIKeyLGWFGIFPGORWGD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds6

About N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide

N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide (PubChem CID 43309789) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
PubChem CID43309789
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(CO)ccc1OC
InChIInChI=1S/C13H19NO4/c1-4-14(2)13(16)9-18-12-7-10(8-15)5-6-11(12)17-3/h5-7,15H,4,8-9H2,1-3H3
InChIKeyLGWFGIFPGORWGD-UHFFFAOYSA-N
XLogP1.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
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
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485467
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide (CID 43309789) is N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide is CCN(C)C(=O)COc1cc(CO)ccc1OC.
What is the InChIKey of N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide?
The InChIKey is LGWFGIFPGORWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-14(2)13(16)9-18-12-7-10(8-15)5-6-11(12)17-3/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide?
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 43309789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).