2-anilino-N-(2,4,6-trimethylphenyl)propanamide

C18H22N2O — CID 78666778

IUPAC2-anilino-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-10-13(2)17(14(3)11-12)20-18(21)15(4)19-16-8-6-5-7-9-16/h5-11,15,19H,1-4H3,(H,20,21)
InChIKeyYZPPZXXUXNYXLY-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.05
Rot. Bonds4

About 2-anilino-N-(2,4,6-trimethylphenyl)propanamide

2-anilino-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 78666778) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-anilino-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-anilino-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID78666778
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-anilino-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-10-13(2)17(14(3)11-12)20-18(21)15(4)19-16-8-6-5-7-9-16/h5-11,15,19H,1-4H3,(H,20,21)
InChIKeyYZPPZXXUXNYXLY-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
CID 134041322
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
2-(3-methyl-4-nitroanilino)-N-phenylpropanamide
CID 133310966
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
CID 55545093
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-anilino-N-(2,4,6-trimethylphenyl)propanamide (CID 78666778) is 2-anilino-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-anilino-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-anilino-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)Nc2ccccc2)c(C)c1.
What is the InChIKey of 2-anilino-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is YZPPZXXUXNYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-10-13(2)17(14(3)11-12)20-18(21)15(4)19-16-8-6-5-7-9-16/h5-11,15,19H,1-4H3,(H,20,21).
What are the key properties of 2-anilino-N-(2,4,6-trimethylphenyl)propanamide?
2-anilino-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 78666778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).