N-(4-ethylphenyl)-3-(4-methylanilino)propanamide

C18H22N2O — CID 109034443

IUPACN-(4-ethylphenyl)-3-(4-methylanilino)propanamide
SMILESCCc1ccc(NC(=O)CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-15-6-10-17(11-7-15)20-18(21)12-13-19-16-8-4-14(2)5-9-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyKAEHEDCRQFMSJQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.00
Rot. Bonds6

About N-(4-ethylphenyl)-3-(4-methylanilino)propanamide

N-(4-ethylphenyl)-3-(4-methylanilino)propanamide (PubChem CID 109034443) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-methylanilino)propanamide
PubChem CID109034443
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-ethylphenyl)-3-(4-methylanilino)propanamide
SMILESCCc1ccc(NC(=O)CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-15-6-10-17(11-7-15)20-18(21)12-13-19-16-8-4-14(2)5-9-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyKAEHEDCRQFMSJQ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-methylanilino)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(4-methylanilino)propanamide (CID 109034443) is N-(4-ethylphenyl)-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-methylanilino)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-methylanilino)propanamide is CCc1ccc(NC(=O)CCNc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-methylanilino)propanamide?
The InChIKey is KAEHEDCRQFMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-15-6-10-17(11-7-15)20-18(21)12-13-19-16-8-4-14(2)5-9-16/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(4-ethylphenyl)-3-(4-methylanilino)propanamide?
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide has a molecular weight of 282.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109034443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).