4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide

C18H21FN2O3 — CID 120588341

IUPAC4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-23-17(11-20)10-18(22)21-15-3-2-4-16(9-15)24-12-13-5-7-14(19)8-6-13/h2-9,17H,10-12,20H2,1H3,(H,21,22)
InChIKeyWCGPFNVOJQJFFJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.71
Rot. Bonds8

About 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide

4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide (PubChem CID 120588341) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
PubChem CID120588341
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-23-17(11-20)10-18(22)21-15-3-2-4-16(9-15)24-12-13-5-7-14(19)8-6-13/h2-9,17H,10-12,20H2,1H3,(H,21,22)
InChIKeyWCGPFNVOJQJFFJ-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide (CID 120588341) is 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide?
The InChIKey is WCGPFNVOJQJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-23-17(11-20)10-18(22)21-15-3-2-4-16(9-15)24-12-13-5-7-14(19)8-6-13/h2-9,17H,10-12,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide?
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide has a molecular weight of 332.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120588341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).