2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide

C19H25N3O — CID 109007146

IUPAC2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)17-12-10-16(11-13-17)20-14-19(23)21-18-9-7-6-8-15(18)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyBQNLYOOIFFZDGO-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.89
Rot. Bonds7

About 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide

2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide (PubChem CID 109007146) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
PubChem CID109007146
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)17-12-10-16(11-13-17)20-14-19(23)21-18-9-7-6-8-15(18)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyBQNLYOOIFFZDGO-UHFFFAOYSA-N
XLogP3.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.89
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

2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402
2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide
CID 109010429
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide (CID 109007146) is 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide is CCN(CC)c1ccc(NCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The InChIKey is BQNLYOOIFFZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(5-2)17-12-10-16(11-13-17)20-14-19(23)21-18-9-7-6-8-15(18)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 109007146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).