2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide

C18H21N3O2 — CID 51286469

IUPAC2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-9-10-16(13(2)11-12)19-14(3)17(22)21-18(23)20-15-7-5-4-6-8-15/h4-11,14,19H,1-3H3,(H2,20,21,22,23)
InChIKeyMYGZUSRRVFFALX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.45
Rot. Bonds4

About 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide

2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide (PubChem CID 51286469) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
PubChem CID51286469
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-9-10-16(13(2)11-12)19-14(3)17(22)21-18(23)20-15-7-5-4-6-8-15/h4-11,14,19H,1-3H3,(H2,20,21,22,23)
InChIKeyMYGZUSRRVFFALX-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide (CID 51286469) is 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide is Cc1ccc(NC(C)C(=O)NC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide?
The InChIKey is MYGZUSRRVFFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-9-10-16(13(2)11-12)19-14(3)17(22)21-18(23)20-15-7-5-4-6-8-15/h4-11,14,19H,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide?
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 51286469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).