N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

C27H29FN2O5 — CID 1441767

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C27H29FN2O5/c1-33-22-15-14-21(17-24(22)34-2)30(27(32)23-9-6-16-35-23)25(18-10-12-19(28)13-11-18)26(31)29-20-7-4-3-5-8-20/h6,9-17,20,25H,3-5,7-8H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyUXDYFIRNOKRHPD-RUZDIDTESA-N
MW480.54 g/mol
LogP5.27
Rot. Bonds8

About N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 1441767) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
PubChem CID1441767
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C27H29FN2O5/c1-33-22-15-14-21(17-24(22)34-2)30(27(32)23-9-6-16-35-23)25(18-10-12-19(28)13-11-18)26(31)29-20-7-4-3-5-8-20/h6,9-17,20,25H,3-5,7-8H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyUXDYFIRNOKRHPD-RUZDIDTESA-N
XLogP5.27
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 3191316
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311435
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 3196871
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3196797
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3191332

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (CID 1441767) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is UXDYFIRNOKRHPD-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-33-22-15-14-21(17-24(22)34-2)30(27(32)23-9-6-16-35-23)25(18-10-12-19(28)13-11-18)26(31)29-20-7-4-3-5-8-20/h6,9-17,20,25H,3-5,7-8H2,1-2H3,(H,29,31)/t25-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 1441767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).