3-(1-adamantyl)-N-(2-adamantyl)propanamide

C23H35NO — CID 134918051

IUPAC3-(1-adamantyl)-N-(2-adamantyl)propanamide
SMILESO=C(CCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H35NO/c25-21(24-22-19-7-14-3-15(9-19)10-20(22)8-14)1-2-23-11-16-4-17(12-23)6-18(5-16)13-23/h14-20,22H,1-13H2,(H,24,25)
InChIKeySFEJAEHRXKJXCX-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.92
Rot. Bonds4

About 3-(1-adamantyl)-N-(2-adamantyl)propanamide

3-(1-adamantyl)-N-(2-adamantyl)propanamide (PubChem CID 134918051) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 3-(1-adamantyl)-N-(2-adamantyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N-(2-adamantyl)propanamide
PubChem CID134918051
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name3-(1-adamantyl)-N-(2-adamantyl)propanamide
SMILESO=C(CCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H35NO/c25-21(24-22-19-7-14-3-15(9-19)10-20(22)8-14)1-2-23-11-16-4-17(12-23)6-18(5-16)13-23/h14-20,22H,1-13H2,(H,24,25)
InChIKeySFEJAEHRXKJXCX-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N-(2-adamantyl)propanamide?
The IUPAC name of 3-(1-adamantyl)-N-(2-adamantyl)propanamide (CID 134918051) is 3-(1-adamantyl)-N-(2-adamantyl)propanamide.
What is the SMILES notation for 3-(1-adamantyl)-N-(2-adamantyl)propanamide?
The canonical SMILES for 3-(1-adamantyl)-N-(2-adamantyl)propanamide is O=C(CCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(1-adamantyl)-N-(2-adamantyl)propanamide?
The InChIKey is SFEJAEHRXKJXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c25-21(24-22-19-7-14-3-15(9-19)10-20(22)8-14)1-2-23-11-16-4-17(12-23)6-18(5-16)13-23/h14-20,22H,1-13H2,(H,24,25).
What are the key properties of 3-(1-adamantyl)-N-(2-adamantyl)propanamide?
3-(1-adamantyl)-N-(2-adamantyl)propanamide has a molecular weight of 341.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N-(2-adamantyl)propanamide is sourced from PubChem (CID 134918051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).