2-(dibutylamino)-1-(4-methylphenyl)ethanone

C17H27NO — CID 43219615

IUPAC2-(dibutylamino)-1-(4-methylphenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-4-6-12-18(13-7-5-2)14-17(19)16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3
InChIKeyVFBLFLOBUCCGPH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds9

About 2-(dibutylamino)-1-(4-methylphenyl)ethanone

2-(dibutylamino)-1-(4-methylphenyl)ethanone (PubChem CID 43219615) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dibutylamino)-1-(4-methylphenyl)ethanone
PubChem CID43219615
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(dibutylamino)-1-(4-methylphenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-4-6-12-18(13-7-5-2)14-17(19)16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3
InChIKeyVFBLFLOBUCCGPH-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-butyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-propylurea
CID 108874571
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(dibutylamino)-1-(4-methylphenyl)ethanone (CID 43219615) is 2-(dibutylamino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(dibutylamino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(dibutylamino)-1-(4-methylphenyl)ethanone is CCCCN(CCCC)CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(dibutylamino)-1-(4-methylphenyl)ethanone?
The InChIKey is VFBLFLOBUCCGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-12-18(13-7-5-2)14-17(19)16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of 2-(dibutylamino)-1-(4-methylphenyl)ethanone?
2-(dibutylamino)-1-(4-methylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43219615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).