N-(1-adamantyl)-3-methoxypropanamide

C14H23NO2 — CID 585548

IUPACN-(1-adamantyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-17-3-2-13(16)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyNJLVCPIRKMABFD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds4

About N-(1-adamantyl)-3-methoxypropanamide

N-(1-adamantyl)-3-methoxypropanamide (PubChem CID 585548) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methoxypropanamide
PubChem CID585548
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(1-adamantyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-17-3-2-13(16)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyNJLVCPIRKMABFD-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methoxypropanamide?
The IUPAC name of N-(1-adamantyl)-3-methoxypropanamide (CID 585548) is N-(1-adamantyl)-3-methoxypropanamide.
What is the SMILES notation for N-(1-adamantyl)-3-methoxypropanamide?
The canonical SMILES for N-(1-adamantyl)-3-methoxypropanamide is COCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-methoxypropanamide?
The InChIKey is NJLVCPIRKMABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-17-3-2-13(16)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(1-adamantyl)-3-methoxypropanamide?
N-(1-adamantyl)-3-methoxypropanamide has a molecular weight of 237.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methoxypropanamide is sourced from PubChem (CID 585548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).