N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide

C18H22N2O2 — CID 46747955

IUPACN-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O2/c1-12-9-10-13(2)16(11-12)20-18(21)14(3)19-15-7-5-6-8-17(15)22-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyQLAFHCAKGHXNMR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide

N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide (PubChem CID 46747955) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
PubChem CID46747955
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O2/c1-12-9-10-13(2)16(11-12)20-18(21)14(3)19-15-7-5-6-8-17(15)22-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyQLAFHCAKGHXNMR-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43001096
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide (CID 46747955) is N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1NC(C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is QLAFHCAKGHXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-9-10-13(2)16(11-12)20-18(21)14(3)19-15-7-5-6-8-17(15)22-4/h5-11,14,19H,1-4H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide?
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 46747955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).