N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide

C20H34N2O2 — CID 164626367

IUPACN'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-14(2)10-21-16(23)5-6-17(24)22-20-9-15-7-18(3,12-20)11-19(4,8-15)13-20/h14-15H,5-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCABFTBSOCQHMAH-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.40
Rot. Bonds6

About N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide

N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide (PubChem CID 164626367) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide
PubChem CID164626367
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-14(2)10-21-16(23)5-6-17(24)22-20-9-15-7-18(3,12-20)11-19(4,8-15)13-20/h14-15H,5-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCABFTBSOCQHMAH-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide?
The IUPAC name of N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide (CID 164626367) is N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide.
What is the SMILES notation for N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide?
The canonical SMILES for N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide is CC(C)CNC(=O)CCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide?
The InChIKey is CABFTBSOCQHMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-14(2)10-21-16(23)5-6-17(24)22-20-9-15-7-18(3,12-20)11-19(4,8-15)13-20/h14-15H,5-13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide?
N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide has a molecular weight of 334.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)butanediamide is sourced from PubChem (CID 164626367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).