N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide

C21H28N2O3 — CID 54817265

IUPACN-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C21H28N2O3/c1-3-4-5-8-14-26-18-11-9-10-17(15-18)23-21(24)16-22-19-12-6-7-13-20(19)25-2/h6-7,9-13,15,22H,3-5,8,14,16H2,1-2H3,(H,23,24)
InChIKeyIWTBQJDQGZEBTK-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.70
Rot. Bonds11

About N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide

N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide (PubChem CID 54817265) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
PubChem CID54817265
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C21H28N2O3/c1-3-4-5-8-14-26-18-11-9-10-17(15-18)23-21(24)16-22-19-12-6-7-13-20(19)25-2/h6-7,9-13,15,22H,3-5,8,14,16H2,1-2H3,(H,23,24)
InChIKeyIWTBQJDQGZEBTK-UHFFFAOYSA-N
XLogP4.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.70
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-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide (CID 54817265) is N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide is CCCCCCOc1cccc(NC(=O)CNc2ccccc2OC)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide?
The InChIKey is IWTBQJDQGZEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-4-5-8-14-26-18-11-9-10-17(15-18)23-21(24)16-22-19-12-6-7-13-20(19)25-2/h6-7,9-13,15,22H,3-5,8,14,16H2,1-2H3,(H,23,24).
What are the key properties of N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide?
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide has a molecular weight of 356.47 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 54817265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).