2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide

C14H21NO4 — CID 61486589

IUPAC2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-11(16)12-5-3-6-13(9-12)19-10-14(17)15-7-4-8-18-2/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyMYBCBSUXTLUWTF-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.27
Rot. Bonds8

About 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 61486589) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID61486589
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-11(16)12-5-3-6-13(9-12)19-10-14(17)15-7-4-8-18-2/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyMYBCBSUXTLUWTF-UHFFFAOYSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 61486589) is 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cccc(C(C)O)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is MYBCBSUXTLUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11(16)12-5-3-6-13(9-12)19-10-14(17)15-7-4-8-18-2/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).