N-(2-adamantyl)-3-phenylpropanamide

C19H25NO — CID 874886

IUPACN-(2-adamantyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO/c21-18(7-6-13-4-2-1-3-5-13)20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-5,14-17,19H,6-12H2,(H,20,21)
InChIKeyZDOMEVXXDPDCNN-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.56
Rot. Bonds4

About N-(2-adamantyl)-3-phenylpropanamide

N-(2-adamantyl)-3-phenylpropanamide (PubChem CID 874886) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(2-adamantyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-phenylpropanamide
PubChem CID874886
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(2-adamantyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO/c21-18(7-6-13-4-2-1-3-5-13)20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-5,14-17,19H,6-12H2,(H,20,21)
InChIKeyZDOMEVXXDPDCNN-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-phenylpropanamide?
The IUPAC name of N-(2-adamantyl)-3-phenylpropanamide (CID 874886) is N-(2-adamantyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-adamantyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-phenylpropanamide?
The InChIKey is ZDOMEVXXDPDCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-18(7-6-13-4-2-1-3-5-13)20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-5,14-17,19H,6-12H2,(H,20,21).
What are the key properties of N-(2-adamantyl)-3-phenylpropanamide?
N-(2-adamantyl)-3-phenylpropanamide has a molecular weight of 283.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-phenylpropanamide is sourced from PubChem (CID 874886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).