N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C23H28N2O4 — CID 54828653

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C23H28N2O4/c1-17(2)15-28-21-9-4-7-19(13-21)25-23(26)14-24-18-6-3-8-20(12-18)29-16-22-10-5-11-27-22/h3-4,6-9,12-13,22,24H,1,5,10-11,14-16H2,2H3,(H,25,26)
InChIKeyZTNARXALYRCQJW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.25
Rot. Bonds10

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828653) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828653
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C23H28N2O4/c1-17(2)15-28-21-9-4-7-19(13-21)25-23(26)14-24-18-6-3-8-20(12-18)29-16-22-10-5-11-27-22/h3-4,6-9,12-13,22,24H,1,5,10-11,14-16H2,2H3,(H,25,26)
InChIKeyZTNARXALYRCQJW-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829537
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836834
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
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-(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-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828653) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is ZTNARXALYRCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(2)15-28-21-9-4-7-19(13-21)25-23(26)14-24-18-6-3-8-20(12-18)29-16-22-10-5-11-27-22/h3-4,6-9,12-13,22,24H,1,5,10-11,14-16H2,2H3,(H,25,26).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]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 N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).