2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone

C16H25NO2 — CID 82101367

IUPAC2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCOCCCNCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGHUYEJMWDRGZEY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds9

About 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone

2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 82101367) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID82101367
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCOCCCNCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGHUYEJMWDRGZEY-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
CID 82102123
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
1-(3,4-dihydroxyphenyl)-2-(3-octoxypropylamino)ethanone
CID 3026301
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone (CID 82101367) is 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone is CCOCCCNCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is GHUYEJMWDRGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82101367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).