N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide

C25H34FN3O2 — CID 123136789

IUPACN-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide
SMILESCNc1cc(CCNC2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)ccc1OC
InChIInChI=1S/C25H34FN3O2/c1-17(19-5-9-21(26)10-6-19)29-25(30)20-7-11-22(12-8-20)28-15-14-18-4-13-24(31-3)23(16-18)27-2/h4-6,9-10,13,16-17,20,22,27-28H,7-8,11-12,14-15H2,1-3H3,(H,29,30)
InChIKeyUAEWMBJIAPXLPR-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.44
Rot. Bonds9

About N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide

N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide (PubChem CID 123136789) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide
PubChem CID123136789
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide
SMILESCNc1cc(CCNC2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)ccc1OC
InChIInChI=1S/C25H34FN3O2/c1-17(19-5-9-21(26)10-6-19)29-25(30)20-7-11-22(12-8-20)28-15-14-18-4-13-24(31-3)23(16-18)27-2/h4-6,9-10,13,16-17,20,22,27-28H,7-8,11-12,14-15H2,1-3H3,(H,29,30)
InChIKeyUAEWMBJIAPXLPR-UHFFFAOYSA-N
XLogP4.44
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 98015785
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
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3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
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N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
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N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
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N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
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1-[(4-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92686091
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
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CID 46776173

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide (CID 123136789) is N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide is CNc1cc(CCNC2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)ccc1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide?
The InChIKey is UAEWMBJIAPXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-17(19-5-9-21(26)10-6-19)29-25(30)20-7-11-22(12-8-20)28-15-14-18-4-13-24(31-3)23(16-18)27-2/h4-6,9-10,13,16-17,20,22,27-28H,7-8,11-12,14-15H2,1-3H3,(H,29,30).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide has a molecular weight of 427.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 123136789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).