2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide

C17H27NO2 — CID 155338644

IUPAC2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide
SMILESCCC(=O)C12CC3(C)CC(C)(CC(CC(N)=O)(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-4-12(19)17-9-14(2)6-15(3,10-17)8-16(7-14,11-17)5-13(18)20/h4-11H2,1-3H3,(H2,18,20)
InChIKeyNUVSANBNMOXTIB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide

2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide (PubChem CID 155338644) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide
PubChem CID155338644
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide
SMILESCCC(=O)C12CC3(C)CC(C)(CC(CC(N)=O)(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-4-12(19)17-9-14(2)6-15(3,10-17)8-16(7-14,11-17)5-13(18)20/h4-11H2,1-3H3,(H2,18,20)
InChIKeyNUVSANBNMOXTIB-UHFFFAOYSA-N
XLogP3.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide (CID 155338644) is 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide is CCC(=O)C12CC3(C)CC(C)(CC(CC(N)=O)(C3)C1)C2.
What is the InChIKey of 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide?
The InChIKey is NUVSANBNMOXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-12(19)17-9-14(2)6-15(3,10-17)8-16(7-14,11-17)5-13(18)20/h4-11H2,1-3H3,(H2,18,20).
What are the key properties of 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide?
2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide is sourced from PubChem (CID 155338644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).