3-(3-methylanilino)-N-(2-methylphenyl)propanamide

C17H20N2O — CID 109033964

IUPAC3-(3-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H20N2O/c1-13-6-5-8-15(12-13)18-11-10-17(20)19-16-9-4-3-7-14(16)2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyOMTJVBBVPVRLIK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds5

About 3-(3-methylanilino)-N-(2-methylphenyl)propanamide

3-(3-methylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 109033964) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3-methylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylanilino)-N-(2-methylphenyl)propanamide
PubChem CID109033964
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(3-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H20N2O/c1-13-6-5-8-15(12-13)18-11-10-17(20)19-16-9-4-3-7-14(16)2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyOMTJVBBVPVRLIK-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
methyl 3-[[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 109034018
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3-methylanilino)-N-(2-methylphenyl)propanamide (CID 109033964) is 3-(3-methylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-methylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-methylanilino)-N-(2-methylphenyl)propanamide is Cc1cccc(NCCC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 3-(3-methylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is OMTJVBBVPVRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-6-5-8-15(12-13)18-11-10-17(20)19-16-9-4-3-7-14(16)2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-methylanilino)-N-(2-methylphenyl)propanamide?
3-(3-methylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 109033964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).