3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C20H26N2O — CID 109035243

IUPAC3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNc1ccc(C)cc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-5-22(18-8-6-7-15(2)14-18)20(23)11-12-21-19-10-9-16(3)13-17(19)4/h6-10,13-14,21H,5,11-12H2,1-4H3
InChIKeyURTGZWJUSPCZFB-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.47
Rot. Bonds6

About 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 109035243) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID109035243
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNc1ccc(C)cc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-5-22(18-8-6-7-15(2)14-18)20(23)11-12-21-19-10-9-16(3)13-17(19)4/h6-10,13-14,21H,5,11-12H2,1-4H3
InChIKeyURTGZWJUSPCZFB-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 109041464
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 109035243) is 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCNc1ccc(C)cc1C)c1cccc(C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is URTGZWJUSPCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-22(18-8-6-7-15(2)14-18)20(23)11-12-21-19-10-9-16(3)13-17(19)4/h6-10,13-14,21H,5,11-12H2,1-4H3.
What are the key properties of 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109035243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).