N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide

C12H21N3O2 — CID 82994248

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCOCCNCCNC(=O)c1ccc(C)n1C
InChIInChI=1S/C12H21N3O2/c1-10-4-5-11(15(10)2)12(16)14-7-6-13-8-9-17-3/h4-5,13H,6-9H2,1-3H3,(H,14,16)
InChIKeyHJCUCNGXCHHARN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.30
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 82994248) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID82994248
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCOCCNCCNC(=O)c1ccc(C)n1C
InChIInChI=1S/C12H21N3O2/c1-10-4-5-11(15(10)2)12(16)14-7-6-13-8-9-17-3/h4-5,13H,6-9H2,1-3H3,(H,14,16)
InChIKeyHJCUCNGXCHHARN-UHFFFAOYSA-N
XLogP0.30
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 54903796
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076617
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63732838
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide (CID 82994248) is N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide is COCCNCCNC(=O)c1ccc(C)n1C.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is HJCUCNGXCHHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-4-5-11(15(10)2)12(16)14-7-6-13-8-9-17-3/h4-5,13H,6-9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 82994248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).