2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide

C15H23NO3 — CID 115767310

IUPAC2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCc1cccc(OCC(=O)NC(CC)CCO)c1
InChIInChI=1S/C15H23NO3/c1-3-12-6-5-7-14(10-12)19-11-15(18)16-13(4-2)8-9-17/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyHCRAUBCLKNHPGE-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.90
Rot. Bonds8

About 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide

2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 115767310) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID115767310
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCc1cccc(OCC(=O)NC(CC)CCO)c1
InChIInChI=1S/C15H23NO3/c1-3-12-6-5-7-14(10-12)19-11-15(18)16-13(4-2)8-9-17/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyHCRAUBCLKNHPGE-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-2-(3-nitrophenoxy)acetamide
CID 115735196
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
(2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61138039
(2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975786
2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238757
(2S,3R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964462
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide (CID 115767310) is 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide is CCc1cccc(OCC(=O)NC(CC)CCO)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is HCRAUBCLKNHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-12-6-5-7-14(10-12)19-11-15(18)16-13(4-2)8-9-17/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 115767310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).