N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide

C25H29NO2 — CID 2929604

IUPACN-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C25H29NO2/c1-17-7-9-20(10-8-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-5-3-4-6-22(21)28-2/h3-10,18-19H,11-16H2,1-2H3,(H,26,27)
InChIKeyQARVKNZCPZTFQD-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.48
Rot. Bonds4

About N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide

N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 2929604) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID2929604
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C25H29NO2/c1-17-7-9-20(10-8-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-5-3-4-6-22(21)28-2/h3-10,18-19H,11-16H2,1-2H3,(H,26,27)
InChIKeyQARVKNZCPZTFQD-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide (CID 2929604) is N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide is COc1ccccc1NC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is QARVKNZCPZTFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-17-7-9-20(10-8-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-5-3-4-6-22(21)28-2/h3-10,18-19H,11-16H2,1-2H3,(H,26,27).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 2929604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).