2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide

C16H18N2O2 — CID 57188054

IUPAC2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)n1ccc(C=O)c1
InChIInChI=1S/C16H18N2O2/c1-13(18-10-8-15(11-18)12-19)16(20)17-9-7-14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,17,20)
InChIKeyHLUSYOOOZIVQNK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide

2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide (PubChem CID 57188054) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
PubChem CID57188054
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)n1ccc(C=O)c1
InChIInChI=1S/C16H18N2O2/c1-13(18-10-8-15(11-18)12-19)16(20)17-9-7-14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,17,20)
InChIKeyHLUSYOOOZIVQNK-UHFFFAOYSA-N
XLogP2.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide (CID 57188054) is 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide is CC(C(=O)NCCc1ccccc1)n1ccc(C=O)c1.
What is the InChIKey of 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is HLUSYOOOZIVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13(18-10-8-15(11-18)12-19)16(20)17-9-7-14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,17,20).
What are the key properties of 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide?
2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpyrrol-1-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 57188054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).