N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C22H26FNO3 — CID 51956623

IUPACN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC
InChIInChI=1S/C22H26FNO3/c1-14-12-19(26-3)20(27-4)13-18(14)15(2)24-21(25)22(10-5-11-22)16-6-8-17(23)9-7-16/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyPRPYATGGFKZFIX-OAHLLOKOSA-N
MW371.45 g/mol
LogP4.45
Rot. Bonds6

About N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 51956623) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID51956623
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC
InChIInChI=1S/C22H26FNO3/c1-14-12-19(26-3)20(27-4)13-18(14)15(2)24-21(25)22(10-5-11-22)16-6-8-17(23)9-7-16/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyPRPYATGGFKZFIX-OAHLLOKOSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
5-chloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 78878424
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
CID 99619635

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 51956623) is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is COc1cc(C)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC.
What is the InChIKey of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is PRPYATGGFKZFIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-14-12-19(26-3)20(27-4)13-18(14)15(2)24-21(25)22(10-5-11-22)16-6-8-17(23)9-7-16/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,24,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 51956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).