2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide

C22H30N2O2 — CID 54818482

IUPAC2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2c(C)cccc2C)c1
InChIInChI=1S/C22H30N2O2/c1-4-5-6-7-14-26-20-13-9-12-19(15-20)24-21(25)16-23-22-17(2)10-8-11-18(22)3/h8-13,15,23H,4-7,14,16H2,1-3H3,(H,24,25)
InChIKeyRSTNFVDRXFLJFD-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.31
Rot. Bonds10

About 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide

2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide (PubChem CID 54818482) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
PubChem CID54818482
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2c(C)cccc2C)c1
InChIInChI=1S/C22H30N2O2/c1-4-5-6-7-14-26-20-13-9-12-19(15-20)24-21(25)16-23-22-17(2)10-8-11-18(22)3/h8-13,15,23H,4-7,14,16H2,1-3H3,(H,24,25)
InChIKeyRSTNFVDRXFLJFD-UHFFFAOYSA-N
XLogP5.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(2-ethyl-6-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54819274
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877403
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide (CID 54818482) is 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide is CCCCCCOc1cccc(NC(=O)CNc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide?
The InChIKey is RSTNFVDRXFLJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-5-6-7-14-26-20-13-9-12-19(15-20)24-21(25)16-23-22-17(2)10-8-11-18(22)3/h8-13,15,23H,4-7,14,16H2,1-3H3,(H,24,25).
What are the key properties of 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide?
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide has a molecular weight of 354.49 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide is sourced from PubChem (CID 54818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).