3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one

C19H23NO — CID 63484455

IUPAC3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCCc1ccc(N(C)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-16-7-11-18(12-8-16)20(3)14-13-19(21)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKeyVWFDEJTUQIMWLO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.27
Rot. Bonds6

About 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one

3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one (PubChem CID 63484455) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
PubChem CID63484455
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCCc1ccc(N(C)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-16-7-11-18(12-8-16)20(3)14-13-19(21)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKeyVWFDEJTUQIMWLO-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
N,4-dimethyl-N-propylaniline
CID 14671247
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
4-(4-ethyl-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65248225
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one (CID 63484455) is 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one is CCc1ccc(N(C)CCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is VWFDEJTUQIMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-16-7-11-18(12-8-16)20(3)14-13-19(21)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one?
3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 63484455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).