2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C23H28N2O4 — CID 54824246

IUPAC2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(2)15-28-19-11-9-18(10-12-19)24-14-23(26)25-21-7-3-4-8-22(21)29-16-20-6-5-13-27-20/h3-4,7-12,20,24H,1,5-6,13-16H2,2H3,(H,25,26)
InChIKeyWAWZOZCEZDIKPR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.25
Rot. Bonds10

About 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54824246) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54824246
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(2)15-28-19-11-9-18(10-12-19)24-14-23(26)25-21-7-3-4-8-22(21)29-16-20-6-5-13-27-20/h3-4,7-12,20,24H,1,5-6,13-16H2,2H3,(H,25,26)
InChIKeyWAWZOZCEZDIKPR-UHFFFAOYSA-N
XLogP4.25
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.25
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829537
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54831866
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54824246) is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is C=C(C)COc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is WAWZOZCEZDIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(2)15-28-19-11-9-18(10-12-19)24-14-23(26)25-21-7-3-4-8-22(21)29-16-20-6-5-13-27-20/h3-4,7-12,20,24H,1,5-6,13-16H2,2H3,(H,25,26).
What are the key properties of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54824246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).