2-ethoxy-2-(4-methylanilino)-1-phenylethanone

C17H19NO2 — CID 13351406

IUPAC2-ethoxy-2-(4-methylanilino)-1-phenylethanone
SMILESCCOC(Nc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(16(19)14-7-5-4-6-8-14)18-15-11-9-13(2)10-12-15/h4-12,17-18H,3H2,1-2H3
InChIKeyYLQOFYNFSOIEAG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.65
Rot. Bonds6

About 2-ethoxy-2-(4-methylanilino)-1-phenylethanone

2-ethoxy-2-(4-methylanilino)-1-phenylethanone (PubChem CID 13351406) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-ethoxy-2-(4-methylanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-ethoxy-2-(4-methylanilino)-1-phenylethanone
PubChem CID13351406
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-ethoxy-2-(4-methylanilino)-1-phenylethanone
SMILESCCOC(Nc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(16(19)14-7-5-4-6-8-14)18-15-11-9-13(2)10-12-15/h4-12,17-18H,3H2,1-2H3
InChIKeyYLQOFYNFSOIEAG-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one
CID 138981125
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
benzenecarboperoxoic acid;2-(4-methylanilino)ethane-1,1-diol
CID 87459533
ethyl (3E)-2-benzamido-3-[(4-methylphenyl)hydrazinylidene]propanoate
CID 177462492
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(4-methylanilino)-1-phenylethanone?
The IUPAC name of 2-ethoxy-2-(4-methylanilino)-1-phenylethanone (CID 13351406) is 2-ethoxy-2-(4-methylanilino)-1-phenylethanone.
What is the SMILES notation for 2-ethoxy-2-(4-methylanilino)-1-phenylethanone?
The canonical SMILES for 2-ethoxy-2-(4-methylanilino)-1-phenylethanone is CCOC(Nc1ccc(C)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-(4-methylanilino)-1-phenylethanone?
The InChIKey is YLQOFYNFSOIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-17(16(19)14-7-5-4-6-8-14)18-15-11-9-13(2)10-12-15/h4-12,17-18H,3H2,1-2H3.
What are the key properties of 2-ethoxy-2-(4-methylanilino)-1-phenylethanone?
2-ethoxy-2-(4-methylanilino)-1-phenylethanone has a molecular weight of 269.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(4-methylanilino)-1-phenylethanone is sourced from PubChem (CID 13351406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).