N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide

C25H30N2O2 — CID 6623358

IUPACN-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cccc1C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O2/c1-17(25-13-18-10-19(14-25)12-20(11-18)15-25)26-23(28)16-27-9-5-8-22(27)24(29)21-6-3-2-4-7-21/h2-9,17-20H,10-16H2,1H3,(H,26,28)
InChIKeyWPHRWTBDKFGCQJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.44
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide

N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide (PubChem CID 6623358) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide
PubChem CID6623358
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cccc1C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O2/c1-17(25-13-18-10-19(14-25)12-20(11-18)15-25)26-23(28)16-27-9-5-8-22(27)24(29)21-6-3-2-4-7-21/h2-9,17-20H,10-16H2,1H3,(H,26,28)
InChIKeyWPHRWTBDKFGCQJ-UHFFFAOYSA-N
XLogP4.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide (CID 6623358) is N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide is CC(NC(=O)Cn1cccc1C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide?
The InChIKey is WPHRWTBDKFGCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17(25-13-18-10-19(14-25)12-20(11-18)15-25)26-23(28)16-27-9-5-8-22(27)24(29)21-6-3-2-4-7-21/h2-9,17-20H,10-16H2,1H3,(H,26,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(2-benzoylpyrrol-1-yl)acetamide is sourced from PubChem (CID 6623358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).