2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride

C16H19ClN2O — CID 50988159

IUPAC2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
SMILESCc1cc(C)cc(NCC(=O)Nc2ccccc2)c1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-8-13(2)10-15(9-12)17-11-16(19)18-14-6-4-3-5-7-14;/h3-10,17H,11H2,1-2H3,(H,18,19);1H
InChIKeyRELTWIRILQPOGD-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.78
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride

2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride (PubChem CID 50988159) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
PubChem CID50988159
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
SMILESCc1cc(C)cc(NCC(=O)Nc2ccccc2)c1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-8-13(2)10-15(9-12)17-11-16(19)18-14-6-4-3-5-7-14;/h3-10,17H,11H2,1-2H3,(H,18,19);1H
InChIKeyRELTWIRILQPOGD-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride (CID 50988159) is 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride is Cc1cc(C)cc(NCC(=O)Nc2ccccc2)c1.Cl.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride?
The InChIKey is RELTWIRILQPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-12-8-13(2)10-15(9-12)17-11-16(19)18-14-6-4-3-5-7-14;/h3-10,17H,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride?
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 50988159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).