1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone

C18H21NO — CID 21420264

IUPAC1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-4-19(17-8-6-5-7-9-17)13-18(20)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3
InChIKeyLIWGZMXBVZERPD-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone

1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone (PubChem CID 21420264) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
PubChem CID21420264
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-4-19(17-8-6-5-7-9-17)13-18(20)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3
InChIKeyLIWGZMXBVZERPD-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone
CID 53440375
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
CID 110654072
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
CID 21420217

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone (CID 21420264) is 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone is CCN(CC(=O)c1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The InChIKey is LIWGZMXBVZERPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-19(17-8-6-5-7-9-17)13-18(20)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone is sourced from PubChem (CID 21420264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).