2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

C21H26FNO4 — CID 55637736

IUPAC2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)COc2ccc(F)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H26FNO4/c1-14(2)12-27-19-10-5-16(11-20(19)25-4)15(3)23-21(24)13-26-18-8-6-17(22)7-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,23,24)
InChIKeyNHFSOUIGPDEDPY-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.13
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (PubChem CID 55637736) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
PubChem CID55637736
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)COc2ccc(F)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H26FNO4/c1-14(2)12-27-19-10-5-16(11-20(19)25-4)15(3)23-21(24)13-26-18-8-6-17(22)7-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,23,24)
InChIKeyNHFSOUIGPDEDPY-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 84884828
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(3-nitrophenoxy)acetamide
CID 46417474
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (CID 55637736) is 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is COc1cc(C(C)NC(=O)COc2ccc(F)cc2)ccc1OCC(C)C.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is NHFSOUIGPDEDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-14(2)12-27-19-10-5-16(11-20(19)25-4)15(3)23-21(24)13-26-18-8-6-17(22)7-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55637736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).