N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide

C14H25N3O2 — CID 79107959

IUPACN-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
SMILESCCCC(NC)c1ccn(CC(=O)NCCOC)c1
InChIInChI=1S/C14H25N3O2/c1-4-5-13(15-2)12-6-8-17(10-12)11-14(18)16-7-9-19-3/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3,(H,16,18)
InChIKeyGEMSLKKGCVKBSR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.31
Rot. Bonds9

About N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide (PubChem CID 79107959) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
PubChem CID79107959
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
SMILESCCCC(NC)c1ccn(CC(=O)NCCOC)c1
InChIInChI=1S/C14H25N3O2/c1-4-5-13(15-2)12-6-8-17(10-12)11-14(18)16-7-9-19-3/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3,(H,16,18)
InChIKeyGEMSLKKGCVKBSR-UHFFFAOYSA-N
XLogP1.31
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.31
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

2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
N-(cyanomethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105228
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105595
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79105506
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide (CID 79107959) is N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide is CCCC(NC)c1ccn(CC(=O)NCCOC)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide?
The InChIKey is GEMSLKKGCVKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-13(15-2)12-6-8-17(10-12)11-14(18)16-7-9-19-3/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79107959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).