2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

C22H28N2O4 — CID 54821459

IUPAC2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-21-8-4-3-7-20(21)24-22(25)14-23-17-9-11-18(12-10-17)27-15-19-6-5-13-26-19/h3-4,7-12,16,19,23H,5-6,13-15H2,1-2H3,(H,24,25)
InChIKeyMZIHVGRBYNYPGX-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.08
Rot. Bonds9

About 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 54821459) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID54821459
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-21-8-4-3-7-20(21)24-22(25)14-23-17-9-11-18(12-10-17)27-15-19-6-5-13-26-19/h3-4,7-12,16,19,23H,5-6,13-15H2,1-2H3,(H,24,25)
InChIKeyMZIHVGRBYNYPGX-UHFFFAOYSA-N
XLogP4.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54824246
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821256
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54831866
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 54821459) is 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CNc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is MZIHVGRBYNYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)28-21-8-4-3-7-20(21)24-22(25)14-23-17-9-11-18(12-10-17)27-15-19-6-5-13-26-19/h3-4,7-12,16,19,23H,5-6,13-15H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54821459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).