1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one

C15H23NO3 — CID 82101058

IUPAC1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)NC(CC)CO
InChIInChI=1S/C15H23NO3/c1-4-12(10-17)16-11(3)15(18)13-8-6-7-9-14(13)19-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyUVNZSKNDSUBLFO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.02
Rot. Bonds8

About 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one

1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one (PubChem CID 82101058) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
PubChem CID82101058
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)NC(CC)CO
InChIInChI=1S/C15H23NO3/c1-4-12(10-17)16-11(3)15(18)13-8-6-7-9-14(13)19-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyUVNZSKNDSUBLFO-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82101024
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one (CID 82101058) is 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one is CCOc1ccccc1C(=O)C(C)NC(CC)CO.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one?
The InChIKey is UVNZSKNDSUBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12(10-17)16-11(3)15(18)13-8-6-7-9-14(13)19-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one?
1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one is sourced from PubChem (CID 82101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).