2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C13H18N2O4 — CID 107709553

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C13H18N2O4/c1-9(12(17)15-13(18)14-2)19-11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyOURIGMAKINHYBJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 107709553) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID107709553
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C13H18N2O4/c1-9(12(17)15-13(18)14-2)19-11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyOURIGMAKINHYBJ-UHFFFAOYSA-N
XLogP0.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495453
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 107709553) is 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is OURIGMAKINHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(17)15-13(18)14-2)19-11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 107709553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).