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

C17H21N3O — CID 7559879

IUPAC2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)19-17(21)12-18-14-8-10-16(11-9-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyICGWNTALGNOXTC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.11
Rot. Bonds5

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

2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide (PubChem CID 7559879) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
PubChem CID7559879
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)19-17(21)12-18-14-8-10-16(11-9-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyICGWNTALGNOXTC-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.11
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-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide (CID 7559879) is 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide?
The InChIKey is ICGWNTALGNOXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)19-17(21)12-18-14-8-10-16(11-9-14)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide?
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7559879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).