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

C16H21N3O — CID 79098210

IUPAC2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H21N3O/c1-12-6-4-5-7-15(12)18-16(20)11-19-9-8-14(10-19)13(2)17-3/h4-10,13,17H,11H2,1-3H3,(H,18,20)
InChIKeyJOCDAGLWNCXILL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds5

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

2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 79098210) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID79098210
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H21N3O/c1-12-6-4-5-7-15(12)18-16(20)11-19-9-8-14(10-19)13(2)17-3/h4-10,13,17H,11H2,1-3H3,(H,18,20)
InChIKeyJOCDAGLWNCXILL-UHFFFAOYSA-N
XLogP2.72
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099508
N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79109479
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79109826
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 79973090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (CID 79098210) is 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is CNC(C)c1ccn(CC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is JOCDAGLWNCXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-4-5-7-15(12)18-16(20)11-19-9-8-14(10-19)13(2)17-3/h4-10,13,17H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 79098210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).