2-(2-ethyl-6-methylanilino)-1-phenylethanone

C17H19NO — CID 94270514

IUPAC2-(2-ethyl-6-methylanilino)-1-phenylethanone
SMILESCCc1cccc(C)c1NCC(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-14-11-7-8-13(2)17(14)18-12-16(19)15-9-5-4-6-10-15/h4-11,18H,3,12H2,1-2H3
InChIKeyCRVNPBBYVPYLSJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-ethyl-6-methylanilino)-1-phenylethanone

2-(2-ethyl-6-methylanilino)-1-phenylethanone (PubChem CID 94270514) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-1-phenylethanone
PubChem CID94270514
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2-ethyl-6-methylanilino)-1-phenylethanone
SMILESCCc1cccc(C)c1NCC(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-14-11-7-8-13(2)17(14)18-12-16(19)15-9-5-4-6-10-15/h4-11,18H,3,12H2,1-2H3
InChIKeyCRVNPBBYVPYLSJ-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
CID 67924375
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
CID 33004733
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
N-(2,5-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004454

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-1-phenylethanone?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-1-phenylethanone (CID 94270514) is 2-(2-ethyl-6-methylanilino)-1-phenylethanone.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-1-phenylethanone?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-1-phenylethanone is CCc1cccc(C)c1NCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-1-phenylethanone?
The InChIKey is CRVNPBBYVPYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-14-11-7-8-13(2)17(14)18-12-16(19)15-9-5-4-6-10-15/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylanilino)-1-phenylethanone?
2-(2-ethyl-6-methylanilino)-1-phenylethanone has a molecular weight of 253.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-1-phenylethanone is sourced from PubChem (CID 94270514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).