3-(2-aminophenyl)-N-methyl-N-phenylpropanamide

C16H18N2O — CID 28713868

IUPAC3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)17/h2-10H,11-12,17H2,1H3
InChIKeyMJZBRHMWGGJBRJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide

3-(2-aminophenyl)-N-methyl-N-phenylpropanamide (PubChem CID 28713868) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
PubChem CID28713868
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)17/h2-10H,11-12,17H2,1H3
InChIKeyMJZBRHMWGGJBRJ-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide (CID 28713868) is 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide is CN(C(=O)CCc1ccccc1N)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide?
The InChIKey is MJZBRHMWGGJBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)17/h2-10H,11-12,17H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide?
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 28713868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).