N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

C23H28N2O3 — CID 1441726

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-9-11-17(12-10-16)21(22(26)24-18-6-3-2-4-7-18)25(19-13-14-19)23(27)20-8-5-15-28-20/h5,8-12,15,18-19,21H,2-4,6-7,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyBHDPDLXCVMKBPY-OAQYLSRUSA-N
MW380.49 g/mol
LogP4.38
Rot. Bonds6

About N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 1441726) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID1441726
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-9-11-17(12-10-16)21(22(26)24-18-6-3-2-4-7-18)25(19-13-14-19)23(27)20-8-5-15-28-20/h5,8-12,15,18-19,21H,2-4,6-7,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyBHDPDLXCVMKBPY-OAQYLSRUSA-N
XLogP4.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 24792687
N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 7145221
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196954
N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 7145172
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196980
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311136
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196978

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (CID 1441726) is N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CC2)cc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is BHDPDLXCVMKBPY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-9-11-17(12-10-16)21(22(26)24-18-6-3-2-4-7-18)25(19-13-14-19)23(27)20-8-5-15-28-20/h5,8-12,15,18-19,21H,2-4,6-7,13-14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 1441726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).