N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide

C20H32N2O2 — CID 24947610

IUPACN-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32N2O2/c1-20(2,10-17(23)21-16-3-4-16)11-18(24)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBJIDTICCMAFUHM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.01
Rot. Bonds6

About N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide

N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide (PubChem CID 24947610) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
PubChem CID24947610
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32N2O2/c1-20(2,10-17(23)21-16-3-4-16)11-18(24)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBJIDTICCMAFUHM-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The IUPAC name of N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide (CID 24947610) is N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide.
What is the SMILES notation for N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The canonical SMILES for N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide is CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The InChIKey is BJIDTICCMAFUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-20(2,10-17(23)21-16-3-4-16)11-18(24)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide has a molecular weight of 332.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide is sourced from PubChem (CID 24947610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).