3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide

C20H25ClN2O — CID 109033314

IUPAC3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-3-17-8-4-6-15(2)20(17)23-19(24)11-13-22-12-10-16-7-5-9-18(21)14-16/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,24)
InChIKeyZGKFLYAROYCCAR-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.37
Rot. Bonds8

About 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 109033314) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID109033314
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-3-17-8-4-6-15(2)20(17)23-19(24)11-13-22-12-10-16-7-5-9-18(21)14-16/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,24)
InChIKeyZGKFLYAROYCCAR-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140623
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
N-(3-chlorophenyl)-5-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354403

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 109033314) is 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCNCCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is ZGKFLYAROYCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-17-8-4-6-15(2)20(17)23-19(24)11-13-22-12-10-16-7-5-9-18(21)14-16/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,24).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 344.89 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 109033314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).