2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide

C25H30N2O — CID 46786313

IUPAC2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C25H30N2O/c28-24(17-25-14-19-11-20(15-25)13-21(12-19)16-25)27-23-8-5-18(6-9-23)4-7-22-3-1-2-10-26-22/h1-3,5-6,8-10,19-21H,4,7,11-17H2,(H,27,28)
InChIKeyQFPRDSWQBBGODY-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.41
Rot. Bonds6

About 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide

2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide (PubChem CID 46786313) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
PubChem CID46786313
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C25H30N2O/c28-24(17-25-14-19-11-20(15-25)13-21(12-19)16-25)27-23-8-5-18(6-9-23)4-7-22-3-1-2-10-26-22/h1-3,5-6,8-10,19-21H,4,7,11-17H2,(H,27,28)
InChIKeyQFPRDSWQBBGODY-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
CID 166321688
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
CID 23934530
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
2-(1-adamantylmethyl)pyridine
CID 584969
N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006248
2-(1-adamantyl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 122284090
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide (CID 46786313) is 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CCc2ccccn2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide?
The InChIKey is QFPRDSWQBBGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-24(17-25-14-19-11-20(15-25)13-21(12-19)16-25)27-23-8-5-18(6-9-23)4-7-22-3-1-2-10-26-22/h1-3,5-6,8-10,19-21H,4,7,11-17H2,(H,27,28).
What are the key properties of 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide?
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide is sourced from PubChem (CID 46786313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).