N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide

C17H20N2O2 — CID 43376419

IUPACN-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-10-16(11-5-13)21-12-17(20)19(2)15-8-6-14(18)7-9-15/h4-11H,3,12,18H2,1-2H3
InChIKeyZRBOJERAFFJSPQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.87
Rot. Bonds5

About N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide

N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide (PubChem CID 43376419) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
PubChem CID43376419
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-10-16(11-5-13)21-12-17(20)19(2)15-8-6-14(18)7-9-15/h4-11H,3,12,18H2,1-2H3
InChIKeyZRBOJERAFFJSPQ-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.87
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

N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide (CID 43376419) is N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide is CCc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide?
The InChIKey is ZRBOJERAFFJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-13-4-10-16(11-5-13)21-12-17(20)19(2)15-8-6-14(18)7-9-15/h4-11H,3,12,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide?
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 43376419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).