N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide

C18H22N2O — CID 109034636

IUPACN-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(C)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-9-10-16(13-15(14)2)19-18(21)11-12-20(3)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyKZNDLNXUMXSCCG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.77
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide

N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide (PubChem CID 109034636) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
PubChem CID109034636
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(C)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-9-10-16(13-15(14)2)19-18(21)11-12-20(3)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyKZNDLNXUMXSCCG-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124749856
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide (CID 109034636) is N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide is Cc1ccc(NC(=O)CCN(C)c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide?
The InChIKey is KZNDLNXUMXSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-9-10-16(13-15(14)2)19-18(21)11-12-20(3)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide?
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide is sourced from PubChem (CID 109034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).