N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide

C19H25NO — CID 614567

IUPACN-methyl-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C19H25NO/c1-13-3-5-16(6-4-13)18-8-14-7-15(9-18)11-19(10-14,12-18)17(21)20-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,21)
InChIKeyQJJHVTCDNCFOQD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds2

About N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide

N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 614567) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID614567
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-methyl-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C19H25NO/c1-13-3-5-16(6-4-13)18-8-14-7-15(9-18)11-19(10-14,12-18)17(21)20-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,21)
InChIKeyQJJHVTCDNCFOQD-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide (CID 614567) is N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide is CNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2.
What is the InChIKey of N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is QJJHVTCDNCFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-3-5-16(6-4-13)18-8-14-7-15(9-18)11-19(10-14,12-18)17(21)20-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide?
N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).