2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide

C15H17N3O2 — CID 14978585

IUPAC2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cccc1
InChIInChI=1S/C15H17N3O2/c1-12(19)17-14(18-9-5-6-10-18)15(20)16-11-13-7-3-2-4-8-13/h2-10,14H,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyXZHHUTMRWTVHMH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.44
Rot. Bonds5

About 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide

2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide (PubChem CID 14978585) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide
PubChem CID14978585
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cccc1
InChIInChI=1S/C15H17N3O2/c1-12(19)17-14(18-9-5-6-10-18)15(20)16-11-13-7-3-2-4-8-13/h2-10,14H,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyXZHHUTMRWTVHMH-UHFFFAOYSA-N
XLogP1.44
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-phenyl-N-(1-phenylethyl)-2-(1H-pyrrol-1-yl)propanamide
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(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide (CID 14978585) is 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide is CC(=O)NC(C(=O)NCc1ccccc1)n1cccc1.
What is the InChIKey of 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide?
The InChIKey is XZHHUTMRWTVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12(19)17-14(18-9-5-6-10-18)15(20)16-11-13-7-3-2-4-8-13/h2-10,14H,11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide?
2-acetamido-N-benzyl-2-pyrrol-1-ylacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.44, 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-pyrrol-1-ylacetamide is sourced from PubChem (CID 14978585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).