2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide

C16H19N3O2 — CID 14212837

IUPAC2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cccn1C
InChIInChI=1S/C16H19N3O2/c1-12(20)18-15(14-9-6-10-19(14)2)16(21)17-11-13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCTOUYJFNTZTLKO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide

2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 14212837) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID14212837
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1cccn1C
InChIInChI=1S/C16H19N3O2/c1-12(20)18-15(14-9-6-10-19(14)2)16(21)17-11-13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCTOUYJFNTZTLKO-UHFFFAOYSA-N
XLogP1.52
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide (CID 14212837) is 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1cccn1C.
What is the InChIKey of 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is CTOUYJFNTZTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)18-15(14-9-6-10-19(14)2)16(21)17-11-13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide?
2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 14212837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).