2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide

C17H23N3O — CID 79109003

IUPAC2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H23N3O/c1-4-18-14(3)15-9-10-20(11-15)12-17(21)19-16-8-6-5-7-13(16)2/h5-11,14,18H,4,12H2,1-3H3,(H,19,21)
InChIKeyYBYJKUCZDOGTDG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds6

About 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide

2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 79109003) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID79109003
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H23N3O/c1-4-18-14(3)15-9-10-20(11-15)12-17(21)19-16-8-6-5-7-13(16)2/h5-11,14,18H,4,12H2,1-3H3,(H,19,21)
InChIKeyYBYJKUCZDOGTDG-UHFFFAOYSA-N
XLogP3.11
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79099870
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79109826
2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 79973090
butyl 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79099646
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
N-ethyl-1-[1-(4-phenylbutyl)pyrrol-3-yl]ethanamine
CID 114334322
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79108513
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (CID 79109003) is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is CCNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is YBYJKUCZDOGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-18-14(3)15-9-10-20(11-15)12-17(21)19-16-8-6-5-7-13(16)2/h5-11,14,18H,4,12H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 79109003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).