2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide

C15H21FN2O2 — CID 72878854

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
SMILESCN(C)C(C(=O)NC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-18(2)14(11-3-5-12(16)6-4-11)15(19)17-13-7-9-20-10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,19)
InChIKeyBKTBHDOOGMNAJO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.72
Rot. Bonds4

About 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide

2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide (PubChem CID 72878854) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
PubChem CID72878854
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
SMILESCN(C)C(C(=O)NC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-18(2)14(11-3-5-12(16)6-4-11)15(19)17-13-7-9-20-10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,19)
InChIKeyBKTBHDOOGMNAJO-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 72875264
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119387962
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
2-amino-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 83533215
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
CID 96516187
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97197887

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide (CID 72878854) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide is CN(C)C(C(=O)NC1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide?
The InChIKey is BKTBHDOOGMNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(2)14(11-3-5-12(16)6-4-11)15(19)17-13-7-9-20-10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 72878854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).