N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide

C25H30N2O3 — CID 17495929

IUPACN-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1cccc(CN(C(=O)Cn2ccccc2=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H30N2O3/c1-30-22-6-4-5-18(12-22)16-27(24(29)17-26-8-3-2-7-23(26)28)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21H,9-11,13-17H2,1H3
InChIKeyJGTORRMGLMTBBP-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.85
Rot. Bonds6

About N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide

N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 17495929) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID17495929
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1cccc(CN(C(=O)Cn2ccccc2=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H30N2O3/c1-30-22-6-4-5-18(12-22)16-27(24(29)17-26-8-3-2-7-23(26)28)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21H,9-11,13-17H2,1H3
InChIKeyJGTORRMGLMTBBP-UHFFFAOYSA-N
XLogP3.85
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 17495929) is N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide is COc1cccc(CN(C(=O)Cn2ccccc2=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is JGTORRMGLMTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-22-6-4-5-18(12-22)16-27(24(29)17-26-8-3-2-7-23(26)28)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21H,9-11,13-17H2,1H3.
What are the key properties of N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 17495929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).