N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C17H24FNO3 — CID 125443369

IUPACN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C2(COC)CCC2)cc1F
InChIInChI=1S/C17H24FNO3/c1-4-22-15-7-6-13(10-14(15)18)12(2)19-16(20)17(11-21-3)8-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyCAWWVOKMQNTEKG-GFCCVEGCSA-N
MW309.38 g/mol
LogP3.22
Rot. Bonds7

About N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 125443369) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID125443369
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C2(COC)CCC2)cc1F
InChIInChI=1S/C17H24FNO3/c1-4-22-15-7-6-13(10-14(15)18)12(2)19-16(20)17(11-21-3)8-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyCAWWVOKMQNTEKG-GFCCVEGCSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 122558971
1-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143299
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83064202
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 81171953

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 125443369) is N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is CCOc1ccc([C@@H](C)NC(=O)C2(COC)CCC2)cc1F.
What is the InChIKey of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is CAWWVOKMQNTEKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-4-22-15-7-6-13(10-14(15)18)12(2)19-16(20)17(11-21-3)8-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 125443369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).