4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide

C16H23FN2O3 — CID 49093446

IUPAC4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCN1CCOC(CNC(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O3/c1-19-8-10-21-13(12-19)11-18-16(20)7-4-9-22-15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,20)
InChIKeyRSKITANINOZLKP-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.43
Rot. Bonds7

About 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide

4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide (PubChem CID 49093446) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide
PubChem CID49093446
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCN1CCOC(CNC(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O3/c1-19-8-10-21-13(12-19)11-18-16(20)7-4-9-22-15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,20)
InChIKeyRSKITANINOZLKP-UHFFFAOYSA-N
XLogP1.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 4779699
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
1-(4-Phenoxybutanoyl)piperidine
CID 2164024
1-(Phenoxyacetyl)piperazine
CID 771959
1-(3-(4-Fluorophenoxy)propyl)-3-methoxypiperidin-4-amine
CID 13677832
N-(3-methylbutyl)-4-phenoxybutanamide
CID 2164620
N-(3-ethoxypropyl)-4-phenoxybutanamide
CID 2179064
N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2889484
N-(3-butoxypropyl)-4-phenoxybutanamide
CID 2914857
2-(2-fluorophenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 2935429
N-(2-phenoxyethyl)nonanamide
CID 4605084
N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 24791533

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide (CID 49093446) is 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide is CN1CCOC(CNC(=O)CCCOc2ccccc2F)C1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The InChIKey is RSKITANINOZLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-19-8-10-21-13(12-19)11-18-16(20)7-4-9-22-15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,20).
What are the key properties of 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide has a molecular weight of 310.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide is sourced from PubChem (CID 49093446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).