N-(3-methylphenyl)adamantane-1-carboxamide

C18H23NO — CID 532251

IUPACN-(3-methylphenyl)adamantane-1-carboxamide
SMILESCc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H23NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyOAAYMOQVJRKBQE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds2

About N-(3-methylphenyl)adamantane-1-carboxamide

N-(3-methylphenyl)adamantane-1-carboxamide (PubChem CID 532251) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)adamantane-1-carboxamide
PubChem CID532251
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(3-methylphenyl)adamantane-1-carboxamide
SMILESCc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H23NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyOAAYMOQVJRKBQE-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)adamantane-1-carboxamide (CID 532251) is N-(3-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)adamantane-1-carboxamide is Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(3-methylphenyl)adamantane-1-carboxamide?
The InChIKey is OAAYMOQVJRKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-3-2-4-16(5-12)19-17(20)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-(3-methylphenyl)adamantane-1-carboxamide?
N-(3-methylphenyl)adamantane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 532251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).