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

C12H21N3O2 — CID 79102745

IUPACN-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1cccn1CC(=O)NCCOC
InChIInChI=1S/C12H21N3O2/c1-10(13-2)11-5-4-7-15(11)9-12(16)14-6-8-17-3/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,14,16)
InChIKeyGARKHTHVAQXSNS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79102745) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79102745
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1cccn1CC(=O)NCCOC
InChIInChI=1S/C12H21N3O2/c1-10(13-2)11-5-4-7-15(11)9-12(16)14-6-8-17-3/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,14,16)
InChIKeyGARKHTHVAQXSNS-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 79102465
N-(2-methoxyethyl)-2-(2-oxo-1H-imidazol-3-yl)acetamide
CID 103125914
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
CID 79102321
methyl 4-[[2-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]benzoate
CID 79102044
N-(2-methoxyethyl)-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165472
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101742
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79102745) is N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1cccn1CC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is GARKHTHVAQXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(13-2)11-5-4-7-15(11)9-12(16)14-6-8-17-3/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).