N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide

C17H23FN2O4 — CID 27453105

IUPACN'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H23FN2O4/c1-23-11-8-19-15(21)16(22)20-12-17(6-9-24-10-7-17)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyBDDUOHPQJNSWPO-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.75
Rot. Bonds6

About N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide

N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 27453105) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide
PubChem CID27453105
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H23FN2O4/c1-23-11-8-19-15(21)16(22)20-12-17(6-9-24-10-7-17)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyBDDUOHPQJNSWPO-UHFFFAOYSA-N
XLogP0.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide 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

N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
2-Morpholin-4-yl-2-oxo-N-(1-phenyl-cyclopentylmethyl)-acetamide
CID 2296431
N-(4-Phenyl-tetrahydro-pyran-4-ylmethyl)-2-pyrrolidin-1-yl-acetamide
CID 6603489
2-Dipropylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549399
2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 649885
2-Diethylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549611
2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide hydrochloride
CID 2920948
2-morpholin-4-yl-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride
CID 16192841
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
N1-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-N2-phenethyloxalamide
CID 56765221
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 72140646

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide (CID 27453105) is N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is BDDUOHPQJNSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-23-11-8-19-15(21)16(22)20-12-17(6-9-24-10-7-17)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide?
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 338.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 27453105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).