N-[4-(1-adamantyl)phenyl]acetamide

C18H23NO — CID 536624

IUPACN-[4-(1-adamantyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO/c1-12(20)19-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyZVJQMQNYDNEXKB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds2

About N-[4-(1-adamantyl)phenyl]acetamide

N-[4-(1-adamantyl)phenyl]acetamide (PubChem CID 536624) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]acetamide
PubChem CID536624
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[4-(1-adamantyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO/c1-12(20)19-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyZVJQMQNYDNEXKB-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]acetamide (CID 536624) is N-[4-(1-adamantyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]acetamide is CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]acetamide?
The InChIKey is ZVJQMQNYDNEXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(20)19-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20).
What are the key properties of N-[4-(1-adamantyl)phenyl]acetamide?
N-[4-(1-adamantyl)phenyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]acetamide is sourced from PubChem (CID 536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).