1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone

C12H17NO3 — CID 82101873

IUPAC1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCCO)cc1
InChIInChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyGDRKHXNCVFLBDM-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.85
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone

1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone (PubChem CID 82101873) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
PubChem CID82101873
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCCO)cc1
InChIInChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyGDRKHXNCVFLBDM-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.85
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

1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101293
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
CID 94262497
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone (CID 82101873) is 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone is CCOc1ccc(C(=O)CNCCO)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone?
The InChIKey is GDRKHXNCVFLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-11-5-3-10(4-6-11)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone?
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone is sourced from PubChem (CID 82101873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).