N-(2-adamantyl)-2-oxopropanamide

C13H19NO2 — CID 10727711

IUPACN-(2-adamantyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19NO2/c1-7(15)13(16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,14,16)
InChIKeyYOJSVLSDPRYQTO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds2

About N-(2-adamantyl)-2-oxopropanamide

N-(2-adamantyl)-2-oxopropanamide (PubChem CID 10727711) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-adamantyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-oxopropanamide
PubChem CID10727711
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-adamantyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19NO2/c1-7(15)13(16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,14,16)
InChIKeyYOJSVLSDPRYQTO-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-oxopropanamide?
The IUPAC name of N-(2-adamantyl)-2-oxopropanamide (CID 10727711) is N-(2-adamantyl)-2-oxopropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-oxopropanamide?
The canonical SMILES for N-(2-adamantyl)-2-oxopropanamide is CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-oxopropanamide?
The InChIKey is YOJSVLSDPRYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7(15)13(16)14-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(2-adamantyl)-2-oxopropanamide?
N-(2-adamantyl)-2-oxopropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-oxopropanamide is sourced from PubChem (CID 10727711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).