N-(1-adamantyl)benzamide

C17H21NO — CID 29392

IUPACN-(1-adamantyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C17H21NO/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)
InChIKeyHIMFTDSGLWYLKA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.39
Rot. Bonds2

About N-(1-adamantyl)benzamide

N-(1-adamantyl)benzamide (PubChem CID 29392) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-adamantyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)benzamide
PubChem CID29392
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(1-adamantyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C17H21NO/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)
InChIKeyHIMFTDSGLWYLKA-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)benzamide?
The IUPAC name of N-(1-adamantyl)benzamide (CID 29392) is N-(1-adamantyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)benzamide?
The canonical SMILES for N-(1-adamantyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-adamantyl)benzamide?
The InChIKey is HIMFTDSGLWYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19).
What are the key properties of N-(1-adamantyl)benzamide?
N-(1-adamantyl)benzamide has a molecular weight of 255.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)benzamide is sourced from PubChem (CID 29392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).