2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

C18H22N2O2 — CID 119695381

IUPAC2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-3-9-17(10-4-14)22-12-11-20(2)18(21)13-15-5-7-16(19)8-6-15/h3-10H,11-13,19H2,1-2H3
InChIKeyNYOXFAVTSFBYML-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 119695381) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID119695381
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-3-9-17(10-4-14)22-12-11-20(2)18(21)13-15-5-7-16(19)8-6-15/h3-10H,11-13,19H2,1-2H3
InChIKeyNYOXFAVTSFBYML-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27447938
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 46637977
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
N-[2-(4-formylphenoxy)ethyl]-N-methyl-2-phenylacetamide
CID 18998896

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 119695381) is 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCN(C)C(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is NYOXFAVTSFBYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-3-9-17(10-4-14)22-12-11-20(2)18(21)13-15-5-7-16(19)8-6-15/h3-10H,11-13,19H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 119695381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).