N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide

C18H22N2O — CID 46757367

IUPACN-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)19-15(4)18(21)20-17-9-8-13(2)10-14(17)3/h5-11,15,19H,1-4H3,(H,20,21)
InChIKeyBNYCKKYTAPKZEP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.05
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide

N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide (PubChem CID 46757367) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
PubChem CID46757367
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)19-15(4)18(21)20-17-9-8-13(2)10-14(17)3/h5-11,15,19H,1-4H3,(H,20,21)
InChIKeyBNYCKKYTAPKZEP-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

(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
CID 78841829
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide (CID 46757367) is N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide is Cc1cccc(NC(C)C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide?
The InChIKey is BNYCKKYTAPKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)19-15(4)18(21)20-17-9-8-13(2)10-14(17)3/h5-11,15,19H,1-4H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide?
N-(2,4-dimethylphenyl)-2-(3-methylanilino)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 N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide is sourced from PubChem (CID 46757367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).