N-(1-adamantylmethyl)benzamide

C18H23NO — CID 3452818

IUPACN-(1-adamantylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)
InChIKeyXTUIDRJNCMLRAD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.63
Rot. Bonds3

About N-(1-adamantylmethyl)benzamide

N-(1-adamantylmethyl)benzamide (PubChem CID 3452818) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-adamantylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)benzamide
PubChem CID3452818
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(1-adamantylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)
InChIKeyXTUIDRJNCMLRAD-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)benzamide (CID 3452818) is N-(1-adamantylmethyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-adamantylmethyl)benzamide?
The InChIKey is XTUIDRJNCMLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20).
What are the key properties of N-(1-adamantylmethyl)benzamide?
N-(1-adamantylmethyl)benzamide has a molecular weight of 269.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)benzamide is sourced from PubChem (CID 3452818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).