2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

C22H26FNO5 — CID 46469803

IUPAC2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2ccc(F)cc2)ccc1OCC1CCCO1
InChIInChI=1S/C22H26FNO5/c1-15(29-18-8-6-17(23)7-9-18)22(25)24-13-16-5-10-20(21(12-16)26-2)28-14-19-4-3-11-27-19/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3,(H,24,25)
InChIKeyZJDFEWCUJSNLRW-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.48
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 46469803) has the molecular formula C22H26FNO5 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
PubChem CID46469803
Molecular FormulaC22H26FNO5
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2ccc(F)cc2)ccc1OCC1CCCO1
InChIInChI=1S/C22H26FNO5/c1-15(29-18-8-6-17(23)7-9-18)22(25)24-13-16-5-10-20(21(12-16)26-2)28-14-19-4-3-11-27-19/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3,(H,24,25)
InChIKeyZJDFEWCUJSNLRW-UHFFFAOYSA-N
XLogP3.48
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55962464
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (CID 46469803) is 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is COc1cc(CNC(=O)C(C)Oc2ccc(F)cc2)ccc1OCC1CCCO1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is ZJDFEWCUJSNLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5/c1-15(29-18-8-6-17(23)7-9-18)22(25)24-13-16-5-10-20(21(12-16)26-2)28-14-19-4-3-11-27-19/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 403.45 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 46469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).