2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide

C18H22N2O2 — CID 82546856

IUPAC2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,13-5-7-14(19)8-6-13)17(21)20(3)15-9-11-16(22-4)12-10-15/h5-12H,19H2,1-4H3
InChIKeyIFHRVMWMWHNANL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide

2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 82546856) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID82546856
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,13-5-7-14(19)8-6-13)17(21)20(3)15-9-11-16(22-4)12-10-15/h5-12H,19H2,1-4H3
InChIKeyIFHRVMWMWHNANL-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
CID 114291390
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide (CID 82546856) is 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is IFHRVMWMWHNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,13-5-7-14(19)8-6-13)17(21)20(3)15-9-11-16(22-4)12-10-15/h5-12H,19H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 82546856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).