N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide

C17H20N2O2 — CID 43376460

IUPACN-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCC(=O)N(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-11-17(20)19(3)15-6-4-14(18)5-7-15/h4-10H,11,18H2,1-3H3
InChIKeyULVXLXPNDGAWIN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds4

About N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide

N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 43376460) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
PubChem CID43376460
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCC(=O)N(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-11-17(20)19(3)15-6-4-14(18)5-7-15/h4-10H,11,18H2,1-3H3
InChIKeyULVXLXPNDGAWIN-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
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-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 63652191
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 118423929
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide (CID 43376460) is N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide is Cc1cc(C)cc(OCC(=O)N(C)c2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is ULVXLXPNDGAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-11-17(20)19(3)15-6-4-14(18)5-7-15/h4-10H,11,18H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide?
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 43376460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).