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

C27H38N4O5 — CID 3153750

IUPACN'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCC(C)C2)no1
InChIInChI=1S/C27H38N4O5/c1-19-8-6-14-27(17-19,26(34)28-21-9-4-3-5-10-21)31(18-22-11-7-15-35-22)25(33)13-12-24(32)29-23-16-20(2)36-30-23/h7,11,15-16,19,21H,3-6,8-10,12-14,17-18H2,1-2H3,(H,28,34)(H,29,30,32)
InChIKeyHYYRKOFBTUYEBH-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.72
Rot. Bonds9

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

N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3153750) has the molecular formula C27H38N4O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3153750
Molecular FormulaC27H38N4O5
Molecular Weight498.62 g/mol
Exact Mass498.28
IUPAC NameN'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCC(C)C2)no1
InChIInChI=1S/C27H38N4O5/c1-19-8-6-14-27(17-19,26(34)28-21-9-4-3-5-10-21)31(18-22-11-7-15-35-22)25(33)13-12-24(32)29-23-16-20(2)36-30-23/h7,11,15-16,19,21H,3-6,8-10,12-14,17-18H2,1-2H3,(H,28,34)(H,29,30,32)
InChIKeyHYYRKOFBTUYEBH-UHFFFAOYSA-N
XLogP4.72
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3153750) is N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[1-(cyclohexylcarbamoyl)-3-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)NC3CCCCC3)CCCC(C)C2)no1.
What is the InChIKey of N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is HYYRKOFBTUYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5/c1-19-8-6-14-27(17-19,26(34)28-21-9-4-3-5-10-21)31(18-22-11-7-15-35-22)25(33)13-12-24(32)29-23-16-20(2)36-30-23/h7,11,15-16,19,21H,3-6,8-10,12-14,17-18H2,1-2H3,(H,28,34)(H,29,30,32).
What are the key properties of N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 498.62 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclohexylcarbamoyl)-3-methylcyclohexyl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3153750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).