2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide

C22H30N2O2 — CID 54813396

IUPAC2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H30N2O2/c1-4-5-6-7-12-26-21-10-8-19(9-11-21)24-22(25)16-23-20-14-17(2)13-18(3)15-20/h8-11,13-15,23H,4-7,12,16H2,1-3H3,(H,24,25)
InChIKeyWOWLFROHWWPKTP-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.31
Rot. Bonds10

About 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide

2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide (PubChem CID 54813396) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
PubChem CID54813396
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H30N2O2/c1-4-5-6-7-12-26-21-10-8-19(9-11-21)24-22(25)16-23-20-14-17(2)13-18(3)15-20/h8-11,13-15,23H,4-7,12,16H2,1-3H3,(H,24,25)
InChIKeyWOWLFROHWWPKTP-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

2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842615

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide (CID 54813396) is 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide is CCCCCCOc1ccc(NC(=O)CNc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide?
The InChIKey is WOWLFROHWWPKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-5-6-7-12-26-21-10-8-19(9-11-21)24-22(25)16-23-20-14-17(2)13-18(3)15-20/h8-11,13-15,23H,4-7,12,16H2,1-3H3,(H,24,25).
What are the key properties of 2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide?
2-(3,5-dimethylanilino)-N-(4-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-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide is sourced from PubChem (CID 54813396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).