N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide

C19H32N2O2 — CID 164620519

IUPACN'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O2/c1-12(2)11-20-17(22)4-3-5-18(23)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h12-16,19H,3-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOQCBGWGQHKLKSG-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.87
Rot. Bonds7

About N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide

N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide (PubChem CID 164620519) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide.

Molecular Properties

Compound NameN'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide
PubChem CID164620519
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O2/c1-12(2)11-20-17(22)4-3-5-18(23)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h12-16,19H,3-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOQCBGWGQHKLKSG-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.87
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-(2-methylpropyl)pentanediamide?
The IUPAC name of N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide (CID 164620519) is N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide.
What is the SMILES notation for N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide?
The canonical SMILES for N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide is CC(C)CNC(=O)CCCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide?
The InChIKey is OQCBGWGQHKLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12(2)11-20-17(22)4-3-5-18(23)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h12-16,19H,3-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide?
N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide has a molecular weight of 320.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide is sourced from PubChem (CID 164620519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).