2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide

C21H28N2O4 — CID 54822490

IUPAC2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-6-18(7-11-20)23-21(24)14-22-17-4-8-19(9-5-17)26-13-12-25-3/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyWZMQRVBRILQJNM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.80
Rot. Bonds11

About 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide

2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54822490) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID54822490
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-6-18(7-11-20)23-21(24)14-22-17-4-8-19(9-5-17)26-13-12-25-3/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyWZMQRVBRILQJNM-UHFFFAOYSA-N
XLogP3.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide (CID 54822490) is 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide is COCCOc1ccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is WZMQRVBRILQJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-6-18(7-11-20)23-21(24)14-22-17-4-8-19(9-5-17)26-13-12-25-3/h4-11,16,22H,12-15H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide?
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54822490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).