N-(4-methoxyphenyl)adamantane-1-carboxamide

C18H23NO2 — CID 532253

IUPACN-(4-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20)
InChIKeyDOMQVXNITFPQNL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.85
Rot. Bonds3

About N-(4-methoxyphenyl)adamantane-1-carboxamide

N-(4-methoxyphenyl)adamantane-1-carboxamide (PubChem CID 532253) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)adamantane-1-carboxamide
PubChem CID532253
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(4-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20)
InChIKeyDOMQVXNITFPQNL-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)adamantane-1-carboxamide (CID 532253) is N-(4-methoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)adamantane-1-carboxamide is COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)adamantane-1-carboxamide?
The InChIKey is DOMQVXNITFPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)adamantane-1-carboxamide?
N-(4-methoxyphenyl)adamantane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 532253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).