2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide

C17H20N2O — CID 2530291

IUPAC2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(C)ccc2C)c1
InChIInChI=1S/C17H20N2O/c1-12-5-4-6-15(9-12)19-17(20)11-18-16-10-13(2)7-8-14(16)3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyWVPLARHTFJIPBW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds4

About 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide

2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 2530291) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide
PubChem CID2530291
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(C)ccc2C)c1
InChIInChI=1S/C17H20N2O/c1-12-5-4-6-15(9-12)19-17(20)11-18-16-10-13(2)7-8-14(16)3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyWVPLARHTFJIPBW-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide (CID 2530291) is 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is WVPLARHTFJIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-5-4-6-15(9-12)19-17(20)11-18-16-10-13(2)7-8-14(16)3/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide?
2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2530291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).