2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

C16H20N2O — CID 110721082

IUPAC2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCn1cccc1
InChIInChI=1S/C16H20N2O/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-12-18-10-4-5-11-18/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,17,19)
InChIKeyKEXWHISLQFVUQO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (PubChem CID 110721082) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
PubChem CID110721082
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCn1cccc1
InChIInChI=1S/C16H20N2O/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-12-18-10-4-5-11-18/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,17,19)
InChIKeyKEXWHISLQFVUQO-UHFFFAOYSA-N
XLogP2.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 110721036
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (CID 110721082) is 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is Cc1ccccc1CC(=O)NCCCn1cccc1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is KEXWHISLQFVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14-7-2-3-8-15(14)13-16(19)17-9-6-12-18-10-4-5-11-18/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,17,19).
What are the key properties of 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 110721082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).