2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone

C15H23NO — CID 82101344

IUPAC2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCNCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-5-10-16-11-15(17)14-8-6-13(7-9-14)12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyFVVXETQXWFALBN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds7

About 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone

2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 82101344) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID82101344
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCNCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-5-10-16-11-15(17)14-8-6-13(7-9-14)12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyFVVXETQXWFALBN-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-(hexylamino)-1-phenylethanone
CID 82101185
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone (CID 82101344) is 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone is CCCCNCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is FVVXETQXWFALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-10-16-11-15(17)14-8-6-13(7-9-14)12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone?
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 233.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82101344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).