3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide

C22H31N3O — CID 109036004

IUPAC3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C22H31N3O/c1-6-25(7-2)19-11-12-20(17(4)15-19)23-14-13-22(26)24-21-10-8-9-16(3)18(21)5/h8-12,15,23H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyAKEFKKSEVDQAGC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.90
Rot. Bonds8

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

3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109036004) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID109036004
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C22H31N3O/c1-6-25(7-2)19-11-12-20(17(4)15-19)23-14-13-22(26)24-21-10-8-9-16(3)18(21)5/h8-12,15,23H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyAKEFKKSEVDQAGC-UHFFFAOYSA-N
XLogP4.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981678
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide (CID 109036004) is 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide is CCN(CC)c1ccc(NCCC(=O)Nc2cccc(C)c2C)c(C)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is AKEFKKSEVDQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-6-25(7-2)19-11-12-20(17(4)15-19)23-14-13-22(26)24-21-10-8-9-16(3)18(21)5/h8-12,15,23H,6-7,13-14H2,1-5H3,(H,24,26).
What are the key properties of 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide?
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).