4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide

C19H21FN2O3 — CID 120926677

IUPAC4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCOCC1
InChIInChI=1S/C19H21FN2O3/c20-14-2-1-3-17(12-14)25-16-6-4-15(5-7-16)22-18(23)19(13-21)8-10-24-11-9-19/h1-7,12H,8-11,13,21H2,(H,22,23)
InChIKeyDXKYMSYQGCQTRR-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.31
Rot. Bonds5

About 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide (PubChem CID 120926677) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
PubChem CID120926677
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCOCC1
InChIInChI=1S/C19H21FN2O3/c20-14-2-1-3-17(12-14)25-16-6-4-15(5-7-16)22-18(23)19(13-21)8-10-24-11-9-19/h1-7,12H,8-11,13,21H2,(H,22,23)
InChIKeyDXKYMSYQGCQTRR-UHFFFAOYSA-N
XLogP3.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120922910
4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide
CID 120939094
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703
4-(aminomethyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120923003
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
CID 120922863

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide (CID 120926677) is 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide is NCC1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide?
The InChIKey is DXKYMSYQGCQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-14-2-1-3-17(12-14)25-16-6-4-15(5-7-16)22-18(23)19(13-21)8-10-24-11-9-19/h1-7,12H,8-11,13,21H2,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120926677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).