N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide

C14H18FNO4 — CID 126834949

IUPACN-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NOc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-10(19-9-13-3-2-8-18-13)14(17)16-20-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyJSXNJRMQQISSGQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.82
Rot. Bonds6

About N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide

N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 126834949) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID126834949
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NOc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-10(19-9-13-3-2-8-18-13)14(17)16-20-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyJSXNJRMQQISSGQ-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 98762105
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide (CID 126834949) is N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)NOc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is JSXNJRMQQISSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-10(19-9-13-3-2-8-18-13)14(17)16-20-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide?
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 283.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 126834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).