N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide

C19H25FN2O3 — CID 99789621

IUPACN-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide
SMILESCC1(C)CN(C(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1(C)C
InChIInChI=1S/C19H25FN2O3/c1-18(2)11-22(19(18,3)4)17(24)16(23)21-12-8-9-15(14(20)10-12)25-13-6-5-7-13/h8-10,13H,5-7,11H2,1-4H3,(H,21,23)
InChIKeyWMHNTXAVUQYBMF-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.34
Rot. Bonds3

About N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide

N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide (PubChem CID 99789621) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide
PubChem CID99789621
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide
SMILESCC1(C)CN(C(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1(C)C
InChIInChI=1S/C19H25FN2O3/c1-18(2)11-22(19(18,3)4)17(24)16(23)21-12-8-9-15(14(20)10-12)25-13-6-5-7-13/h8-10,13H,5-7,11H2,1-4H3,(H,21,23)
InChIKeyWMHNTXAVUQYBMF-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
(3aS,6aR)-2-[(4-cyclopentyloxy-3-fluorophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085742
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
CID 95161860

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide?
The IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide (CID 99789621) is N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide is CC1(C)CN(C(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1(C)C.
What is the InChIKey of N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide?
The InChIKey is WMHNTXAVUQYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-18(2)11-22(19(18,3)4)17(24)16(23)21-12-8-9-15(14(20)10-12)25-13-6-5-7-13/h8-10,13H,5-7,11H2,1-4H3,(H,21,23).
What are the key properties of N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide?
N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide is sourced from PubChem (CID 99789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).