N-(1-adamantyl)-2-methylpropanamide

C14H23NO — CID 3630615

IUPACN-(1-adamantyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-9(2)13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeySZDKRLQQAFPJPC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds2

About N-(1-adamantyl)-2-methylpropanamide

N-(1-adamantyl)-2-methylpropanamide (PubChem CID 3630615) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methylpropanamide
PubChem CID3630615
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(1-adamantyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-9(2)13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeySZDKRLQQAFPJPC-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-adamantyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methylpropanamide?
The IUPAC name of N-(1-adamantyl)-2-methylpropanamide (CID 3630615) is N-(1-adamantyl)-2-methylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-2-methylpropanamide?
The canonical SMILES for N-(1-adamantyl)-2-methylpropanamide is CC(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-methylpropanamide?
The InChIKey is SZDKRLQQAFPJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(1-adamantyl)-2-methylpropanamide?
N-(1-adamantyl)-2-methylpropanamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methylpropanamide is sourced from PubChem (CID 3630615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).