N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide

C18H25FN2O3 — CID 154766090

IUPACN-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
SMILESCC(CNC(=O)C1CN(C2CCOCC2)C1)Oc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-13(24-17-4-2-3-15(19)9-17)10-20-18(22)14-11-21(12-14)16-5-7-23-8-6-16/h2-4,9,13-14,16H,5-8,10-12H2,1H3,(H,20,22)
InChIKeyRLRIPBJOKJRJQU-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide

N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide (PubChem CID 154766090) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
PubChem CID154766090
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
SMILESCC(CNC(=O)C1CN(C2CCOCC2)C1)Oc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-13(24-17-4-2-3-15(19)9-17)10-20-18(22)14-11-21(12-14)16-5-7-23-8-6-16/h2-4,9,13-14,16H,5-8,10-12H2,1H3,(H,20,22)
InChIKeyRLRIPBJOKJRJQU-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 126826252
(3R,4R)-4-(3-fluorophenoxy)-1-(oxan-4-yl)pyrrolidin-3-ol
CID 110159212
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine
CID 111682034
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119335633
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide (CID 154766090) is N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide is CC(CNC(=O)C1CN(C2CCOCC2)C1)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
The InChIKey is RLRIPBJOKJRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-13(24-17-4-2-3-15(19)9-17)10-20-18(22)14-11-21(12-14)16-5-7-23-8-6-16/h2-4,9,13-14,16H,5-8,10-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide?
N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 154766090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).