N-(1-phenylethyl)-2-pyrrol-1-ylacetamide

C14H16N2O — CID 20880526

IUPACN-(1-phenylethyl)-2-pyrrol-1-ylacetamide
SMILESCC(NC(=O)Cn1cccc1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-10,12H,11H2,1H3,(H,15,17)
InChIKeyZFQSYFATBMFAOM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.37
Rot. Bonds4

About N-(1-phenylethyl)-2-pyrrol-1-ylacetamide

N-(1-phenylethyl)-2-pyrrol-1-ylacetamide (PubChem CID 20880526) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-pyrrol-1-ylacetamide
PubChem CID20880526
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(1-phenylethyl)-2-pyrrol-1-ylacetamide
SMILESCC(NC(=O)Cn1cccc1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-10,12H,11H2,1H3,(H,15,17)
InChIKeyZFQSYFATBMFAOM-UHFFFAOYSA-N
XLogP2.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-pyrrol-1-ylacetamide (CID 20880526) is N-(1-phenylethyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-pyrrol-1-ylacetamide is CC(NC(=O)Cn1cccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-pyrrol-1-ylacetamide?
The InChIKey is ZFQSYFATBMFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-10,12H,11H2,1H3,(H,15,17).
What are the key properties of N-(1-phenylethyl)-2-pyrrol-1-ylacetamide?
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide has a molecular weight of 228.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 20880526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).