2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide

C16H23FN2O2 — CID 63097642

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
SMILESCC(Cc1ccc(F)cc1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C16H23FN2O2/c1-12(10-13-2-4-14(17)5-3-13)18-11-16(20)19-15-6-8-21-9-7-15/h2-5,12,15,18H,6-11H2,1H3,(H,19,20)
InChIKeyAYIWSDMGNSHNIV-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.64
Rot. Bonds6

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide

2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63097642) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
PubChem CID63097642
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
SMILESCC(Cc1ccc(F)cc1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C16H23FN2O2/c1-12(10-13-2-4-14(17)5-3-13)18-11-16(20)19-15-6-8-21-9-7-15/h2-5,12,15,18H,6-11H2,1H3,(H,19,20)
InChIKeyAYIWSDMGNSHNIV-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
CID 115709702
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
CID 96516187
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide (CID 63097642) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide is CC(Cc1ccc(F)cc1)NCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is AYIWSDMGNSHNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(10-13-2-4-14(17)5-3-13)18-11-16(20)19-15-6-8-21-9-7-15/h2-5,12,15,18H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63097642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).