2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide

C22H26N2O4 — CID 54828749

IUPAC2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-2-11-26-19-8-4-7-18(14-19)24-22(25)15-23-17-6-3-9-20(13-17)28-16-21-10-5-12-27-21/h2-4,6-9,13-14,21,23H,1,5,10-12,15-16H2,(H,24,25)
InChIKeyZJHCXAGHOZDIMP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.86
Rot. Bonds10

About 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide

2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide (PubChem CID 54828749) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
PubChem CID54828749
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-2-11-26-19-8-4-7-18(14-19)24-22(25)15-23-17-6-3-9-20(13-17)28-16-21-10-5-12-27-21/h2-4,6-9,13-14,21,23H,1,5,10-12,15-16H2,(H,24,25)
InChIKeyZJHCXAGHOZDIMP-UHFFFAOYSA-N
XLogP3.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide (CID 54828749) is 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide is C=CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide?
The InChIKey is ZJHCXAGHOZDIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-11-26-19-8-4-7-18(14-19)24-22(25)15-23-17-6-3-9-20(13-17)28-16-21-10-5-12-27-21/h2-4,6-9,13-14,21,23H,1,5,10-12,15-16H2,(H,24,25).
What are the key properties of 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide?
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54828749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).