2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C24H26N2O3 — CID 54811716

IUPAC2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1C
InChIInChI=1S/C24H26N2O3/c1-18-11-12-20(15-19(18)2)25-17-24(27)26-21-7-6-10-23(16-21)29-14-13-28-22-8-4-3-5-9-22/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27)
InChIKeyXQEGZIKXMZNGGH-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.81
Rot. Bonds9

About 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54811716) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54811716
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1C
InChIInChI=1S/C24H26N2O3/c1-18-11-12-20(15-19(18)2)25-17-24(27)26-21-7-6-10-23(16-21)29-14-13-28-22-8-4-3-5-9-22/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27)
InChIKeyXQEGZIKXMZNGGH-UHFFFAOYSA-N
XLogP4.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54812430
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826043

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54811716) is 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is Cc1ccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is XQEGZIKXMZNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18-11-12-20(15-19(18)2)25-17-24(27)26-21-7-6-10-23(16-21)29-14-13-28-22-8-4-3-5-9-22/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27).
What are the key properties of 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54811716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).