2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide

C18H22N2O4 — CID 119801988

IUPAC2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(N(C)C(=O)Cc2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-20(17(21)9-12-5-7-13(19)8-6-12)14-10-15(22-2)18(24-4)16(11-14)23-3/h5-8,10-11H,9,19H2,1-4H3
InChIKeyMFMHJYICVOEVHS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 119801988) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID119801988
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(N(C)C(=O)Cc2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-20(17(21)9-12-5-7-13(19)8-6-12)14-10-15(22-2)18(24-4)16(11-14)23-3/h5-8,10-11H,9,19H2,1-4H3
InChIKeyMFMHJYICVOEVHS-UHFFFAOYSA-N
XLogP2.50
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
CID 143586578
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
2-amino-N-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 120668821
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 119801988) is 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(N(C)C(=O)Cc2ccc(N)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MFMHJYICVOEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20(17(21)9-12-5-7-13(19)8-6-12)14-10-15(22-2)18(24-4)16(11-14)23-3/h5-8,10-11H,9,19H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 119801988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).