N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide

C22H36N2O2 — CID 164611216

IUPACN-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCC(=O)NC1CCCCC1)(C3)C2
InChIInChI=1S/C22H36N2O2/c1-20-10-16-11-21(2,13-20)15-22(12-16,14-20)24-19(26)9-8-18(25)23-17-6-4-3-5-7-17/h16-17H,3-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCEUGSHDHZNEORW-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.08
Rot. Bonds5

About N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide

N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide (PubChem CID 164611216) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide
PubChem CID164611216
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCC(=O)NC1CCCCC1)(C3)C2
InChIInChI=1S/C22H36N2O2/c1-20-10-16-11-21(2,13-20)15-22(12-16,14-20)24-19(26)9-8-18(25)23-17-6-4-3-5-7-17/h16-17H,3-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCEUGSHDHZNEORW-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide?
The IUPAC name of N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide (CID 164611216) is N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide?
The canonical SMILES for N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide is CC12CC3CC(C)(C1)CC(NC(=O)CCC(=O)NC1CCCCC1)(C3)C2.
What is the InChIKey of N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide?
The InChIKey is CEUGSHDHZNEORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-20-10-16-11-21(2,13-20)15-22(12-16,14-20)24-19(26)9-8-18(25)23-17-6-4-3-5-7-17/h16-17H,3-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide?
N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide has a molecular weight of 360.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3,5-dimethyl-1-adamantyl)butanediamide is sourced from PubChem (CID 164611216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).