N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C25H34N4O5 — CID 1083955

IUPACN'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)no1
InChIInChI=1S/C25H34N4O5/c1-18-16-21(28-34-18)27-22(30)11-12-23(31)29(17-20-10-7-15-33-20)25(13-5-2-6-14-25)24(32)26-19-8-3-4-9-19/h7,10,15-16,19H,2-6,8-9,11-14,17H2,1H3,(H,26,32)(H,27,28,30)
InChIKeyCYYHRHDARFOGII-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.09
Rot. Bonds9

About N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 1083955) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID1083955
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC NameN'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)no1
InChIInChI=1S/C25H34N4O5/c1-18-16-21(28-34-18)27-22(30)11-12-23(31)29(17-20-10-7-15-33-20)25(13-5-2-6-14-25)24(32)26-19-8-3-4-9-19/h7,10,15-16,19H,2-6,8-9,11-14,17H2,1H3,(H,26,32)(H,27,28,30)
InChIKeyCYYHRHDARFOGII-UHFFFAOYSA-N
XLogP4.09
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide with MolForge

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Related Compounds

N-(4-Cyclohexylcarbamoyl-1-methyl-piperidin-4-yl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 648429
N-(Cyclopentylcarbamoyl-furan-2-yl-methyl)-N-(2,5-dimethyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 648446
N-(3-Methoxy-benzyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 656341
N-(1-Cyclopentylcarbamoyl-4-methyl-cyclohexyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 1083956
N-(1-Cyclohexylcarbamoyl-3-methyl-cyclohexyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3153750
N-(1-Cyclopentylcarbamoyl-2-methyl-cyclohexyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3153753
N-(Cyclohexylcarbamoyl-phenyl-methyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3206377
N-[Cyclopentylcarbamoyl-(5-methyl-furan-2-yl)-methyl]-N-(3-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210678
N-Benzyl-N-[cyclopentylcarbamoyl-(5-methyl-furan-2-yl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210679
N'-butyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 3210680
N-Benzyl-N-(cyclopentylcarbamoyl-furan-2-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210689
N'-[(Cyclopentylcarbamoyl)(furan-2-YL)methyl]-N'-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-YL)succinamide
CID 3210693

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 1083955) is N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)no1.
What is the InChIKey of N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is CYYHRHDARFOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-18-16-21(28-34-18)27-22(30)11-12-23(31)29(17-20-10-7-15-33-20)25(13-5-2-6-14-25)24(32)26-19-8-3-4-9-19/h7,10,15-16,19H,2-6,8-9,11-14,17H2,1H3,(H,26,32)(H,27,28,30).
What are the key properties of N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 470.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclopentylcarbamoyl)cyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 1083955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).