3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide

C18H22N2O — CID 37430844

IUPAC3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1ccc(NCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-8-17(9-7-14)19-11-10-18(21)20-13-16-5-3-4-15(2)12-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyDBOCQRMIUTWMAI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds6

About 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 37430844) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID37430844
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1ccc(NCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-8-17(9-7-14)19-11-10-18(21)20-13-16-5-3-4-15(2)12-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyDBOCQRMIUTWMAI-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 37430844) is 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide is Cc1ccc(NCCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is DBOCQRMIUTWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-6-8-17(9-7-14)19-11-10-18(21)20-13-16-5-3-4-15(2)12-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 37430844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).