2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone

C16H25NO — CID 79477665

IUPAC2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
SMILESCCC(C)CN(CC)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-5-13(3)11-17(6-2)12-16(18)15-9-7-14(4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeySOVBIGBQCUPRLM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds7

About 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone

2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 79477665) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
PubChem CID79477665
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
SMILESCCC(C)CN(CC)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-5-13(3)11-17(6-2)12-16(18)15-9-7-14(4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeySOVBIGBQCUPRLM-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43795913
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796160
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 54987420
3-chloro-4-[[ethyl(2-methylbutyl)amino]methyl]benzoic acid
CID 102670002
3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79481123
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone (CID 79477665) is 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone is CCC(C)CN(CC)CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is SOVBIGBQCUPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-13(3)11-17(6-2)12-16(18)15-9-7-14(4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone?
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 79477665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).