2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide

C13H19NO3 — CID 43503995

IUPAC2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1C(C)O
InChIInChI=1S/C13H19NO3/c1-3-8-14-13(16)9-17-12-7-5-4-6-11(12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyNYGZXJABNDABKU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide

2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide (PubChem CID 43503995) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
PubChem CID43503995
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1C(C)O
InChIInChI=1S/C13H19NO3/c1-3-8-14-13(16)9-17-12-7-5-4-6-11(12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyNYGZXJABNDABKU-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide (CID 43503995) is 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccccc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide?
The InChIKey is NYGZXJABNDABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-14-13(16)9-17-12-7-5-4-6-11(12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide?
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 43503995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).