N-(1-adamantylmethyl)acetamide

C13H21NO — CID 2835982

IUPACN-(1-adamantylmethyl)acetamide
SMILESCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-9(15)14-8-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,2-8H2,1H3,(H,14,15)
InChIKeyZJVDVQCEHOZULS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds2

About N-(1-adamantylmethyl)acetamide

N-(1-adamantylmethyl)acetamide (PubChem CID 2835982) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1-adamantylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)acetamide
PubChem CID2835982
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(1-adamantylmethyl)acetamide
SMILESCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-9(15)14-8-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,2-8H2,1H3,(H,14,15)
InChIKeyZJVDVQCEHOZULS-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)acetamide (CID 2835982) is N-(1-adamantylmethyl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)acetamide is CC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)acetamide?
The InChIKey is ZJVDVQCEHOZULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(15)14-8-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1-adamantylmethyl)acetamide?
N-(1-adamantylmethyl)acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)acetamide is sourced from PubChem (CID 2835982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).