N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide

C18H22N2O2 — CID 109034471

IUPACN-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-7-15(8-5-13)19-11-10-18(21)20-16-12-14(2)6-9-17(16)22-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyAIMKJZOVNKKEHF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide

N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide (PubChem CID 109034471) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
PubChem CID109034471
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-7-15(8-5-13)19-11-10-18(21)20-16-12-14(2)6-9-17(16)22-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyAIMKJZOVNKKEHF-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040606
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide (CID 109034471) is N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide is COc1ccc(C)cc1NC(=O)CCNc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide?
The InChIKey is AIMKJZOVNKKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-4-7-15(8-5-13)19-11-10-18(21)20-16-12-14(2)6-9-17(16)22-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide?
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109034471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).