N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide

C21H25FN2O4 — CID 75393732

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
SMILESCOCCCOC1CN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C21H25FN2O4/c1-26-10-3-11-27-20-13-24(14-20)21(25)23-18-4-2-5-19(12-18)28-15-16-6-8-17(22)9-7-16/h2,4-9,12,20H,3,10-11,13-15H2,1H3,(H,23,25)
InChIKeyHMYXXCKTKPHTDC-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.67
Rot. Bonds9

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide (PubChem CID 75393732) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
PubChem CID75393732
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
SMILESCOCCCOC1CN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C21H25FN2O4/c1-26-10-3-11-27-20-13-24(14-20)21(25)23-18-4-2-5-19(12-18)28-15-16-6-8-17(22)9-7-16/h2,4-9,12,20H,3,10-11,13-15H2,1H3,(H,23,25)
InChIKeyHMYXXCKTKPHTDC-UHFFFAOYSA-N
XLogP3.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
CID 72904447
(3aR,5R,6S,7aS)-5,6-dihydroxy-N-(3-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 72912891
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(2R,6R)-2,6-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 94148495
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
CID 75455691

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide (CID 75393732) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide is COCCCOC1CN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide?
The InChIKey is HMYXXCKTKPHTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-26-10-3-11-27-20-13-24(14-20)21(25)23-18-4-2-5-19(12-18)28-15-16-6-8-17(22)9-7-16/h2,4-9,12,20H,3,10-11,13-15H2,1H3,(H,23,25).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide is sourced from PubChem (CID 75393732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).