N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C26H36N4O5 — CID 1083956

IUPACN'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCC(C)CC2)no1
InChIInChI=1S/C26H36N4O5/c1-18-11-13-26(14-12-18,25(33)27-20-6-3-4-7-20)30(17-21-8-5-15-34-21)24(32)10-9-23(31)28-22-16-19(2)35-29-22/h5,8,15-16,18,20H,3-4,6-7,9-14,17H2,1-2H3,(H,27,33)(H,28,29,31)
InChIKeyCWXGIESRGYPNBE-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.33
Rot. Bonds9

About N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 1083956) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID1083956
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCC(C)CC2)no1
InChIInChI=1S/C26H36N4O5/c1-18-11-13-26(14-12-18,25(33)27-20-6-3-4-7-20)30(17-21-8-5-15-34-21)24(32)10-9-23(31)28-22-16-19(2)35-29-22/h5,8,15-16,18,20H,3-4,6-7,9-14,17H2,1-2H3,(H,27,33)(H,28,29,31)
InChIKeyCWXGIESRGYPNBE-UHFFFAOYSA-N
XLogP4.33
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(1-Cyclopentylcarbamoyl-cyclohexyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 1083955
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
N-(Cyclopentylcarbamoyl-o-tolyl-methyl)-N-furan-2-ylmethyl-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210716

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 1083956) is N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-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)CCC(C)CC2)no1.
What is the InChIKey of N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is CWXGIESRGYPNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-18-11-13-26(14-12-18,25(33)27-20-6-3-4-7-20)30(17-21-8-5-15-34-21)24(32)10-9-23(31)28-22-16-19(2)35-29-22/h5,8,15-16,18,20H,3-4,6-7,9-14,17H2,1-2H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 484.60 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclopentylcarbamoyl)-4-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 1083956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).