2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide

C13H20N2O2 — CID 54964418

IUPAC2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
SMILESCOc1ccc(NC(C)C(=O)N(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-8-11(6-7-12(9)17-5)14-10(2)13(16)15(3)4/h6-8,10,14H,1-5H3
InChIKeyHNMWELKFEOZOCA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide

2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide (PubChem CID 54964418) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
PubChem CID54964418
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
SMILESCOc1ccc(NC(C)C(=O)N(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-8-11(6-7-12(9)17-5)14-10(2)13(16)15(3)4/h6-8,10,14H,1-5H3
InChIKeyHNMWELKFEOZOCA-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(2,5-dimethoxyanilino)-N,N-dimethylpropanamide
CID 43085475
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
CID 9044303
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
CID 87033332
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
CID 87033327
ethyl 2-(4-methoxy-3-methylanilino)pentanoate
CID 79040257

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide (CID 54964418) is 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide is COc1ccc(NC(C)C(=O)N(C)C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide?
The InChIKey is HNMWELKFEOZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-11(6-7-12(9)17-5)14-10(2)13(16)15(3)4/h6-8,10,14H,1-5H3.
What are the key properties of 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide?
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 54964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).