N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide

C18H24N2O — CID 110773689

IUPACN-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCCc2ccccc2)c(C)n1C
InChIInChI=1S/C18H24N2O/c1-14-12-17(15(2)20(14)3)13-18(21)19-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyGAEWLWIRZYSDSS-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.93
Rot. Bonds6

About N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide

N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (PubChem CID 110773689) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
PubChem CID110773689
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCCc2ccccc2)c(C)n1C
InChIInChI=1S/C18H24N2O/c1-14-12-17(15(2)20(14)3)13-18(21)19-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyGAEWLWIRZYSDSS-UHFFFAOYSA-N
XLogP2.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773658
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110791942
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2091356
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide
CID 27826614
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (CID 110773689) is N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCCCc2ccccc2)c(C)n1C.
What is the InChIKey of N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The InChIKey is GAEWLWIRZYSDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-12-17(15(2)20(14)3)13-18(21)19-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is sourced from PubChem (CID 110773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).