N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide

C22H25NO5 — CID 46449164

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-2-21(24)16-8-10-18(11-9-16)28-15-22(25)23-17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,20H,2,4,7,12,14-15H2,1H3,(H,23,25)
InChIKeyCQRVIVWACOABHB-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.85
Rot. Bonds9

About N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 46449164) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID46449164
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-2-21(24)16-8-10-18(11-9-16)28-15-22(25)23-17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,20H,2,4,7,12,14-15H2,1H3,(H,23,25)
InChIKeyCQRVIVWACOABHB-UHFFFAOYSA-N
XLogP3.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518286
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide (CID 46449164) is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is CQRVIVWACOABHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-2-21(24)16-8-10-18(11-9-16)28-15-22(25)23-17-5-3-6-19(13-17)27-14-20-7-4-12-26-20/h3,5-6,8-11,13,20H,2,4,7,12,14-15H2,1H3,(H,23,25).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 383.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 46449164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).