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

C18H31NO — CID 79986456

IUPAC2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-13(2)9-19-15(20)8-18-7-14-5-16(3,11-18)10-17(4,6-14)12-18/h13-14H,5-12H2,1-4H3,(H,19,20)
InChIKeyORMPTAVSJHDIMX-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.15
Rot. Bonds4

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

2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide (PubChem CID 79986456) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
PubChem CID79986456
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-13(2)9-19-15(20)8-18-7-14-5-16(3,11-18)10-17(4,6-14)12-18/h13-14H,5-12H2,1-4H3,(H,19,20)
InChIKeyORMPTAVSJHDIMX-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide (CID 79986456) is 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide?
The InChIKey is ORMPTAVSJHDIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)9-19-15(20)8-18-7-14-5-16(3,11-18)10-17(4,6-14)12-18/h13-14H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide?
2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide has a molecular weight of 277.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79986456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).