N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide

C25H33N3O4 — CID 25412970

IUPACN-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O4/c1-17(2)28(25(31)24(30)27-20-8-5-4-6-9-20)22(19-13-11-18(3)12-14-19)23(29)26-16-21-10-7-15-32-21/h7,10-15,17,20,22H,4-6,8-9,16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeySBPHCWFCPRECHG-QFIPXVFZSA-N
MW439.56 g/mol
LogP3.63
Rot. Bonds7

About N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide

N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide (PubChem CID 25412970) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
PubChem CID25412970
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O4/c1-17(2)28(25(31)24(30)27-20-8-5-4-6-9-20)22(19-13-11-18(3)12-14-19)23(29)26-16-21-10-7-15-32-21/h7,10-15,17,20,22H,4-6,8-9,16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeySBPHCWFCPRECHG-QFIPXVFZSA-N
XLogP3.63
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
CID 7406773
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 25412922
N-cyclohexyl-N'-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220018
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220019
N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
CID 25412994
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196980
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide (CID 25412970) is N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide is Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1.
What is the InChIKey of N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide?
The InChIKey is SBPHCWFCPRECHG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17(2)28(25(31)24(30)27-20-8-5-4-6-9-20)22(19-13-11-18(3)12-14-19)23(29)26-16-21-10-7-15-32-21/h7,10-15,17,20,22H,4-6,8-9,16H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide?
N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide has a molecular weight of 439.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 25412970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).