3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide

C11H19N3O2 — CID 66402058

IUPAC3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
SMILESCOCCNCc1cccn1CCC(N)=O
InChIInChI=1S/C11H19N3O2/c1-16-8-5-13-9-10-3-2-6-14(10)7-4-11(12)15/h2-3,6,13H,4-5,7-9H2,1H3,(H2,12,15)
InChIKeyRBSUWHKABHXAQN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.10
Rot. Bonds8

About 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide

3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide (PubChem CID 66402058) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
PubChem CID66402058
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
SMILESCOCCNCc1cccn1CCC(N)=O
InChIInChI=1S/C11H19N3O2/c1-16-8-5-13-9-10-3-2-6-14(10)7-4-11(12)15/h2-3,6,13H,4-5,7-9H2,1H3,(H2,12,15)
InChIKeyRBSUWHKABHXAQN-UHFFFAOYSA-N
XLogP0.10
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.10
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-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 106717702
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 103005538
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide?
The IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide (CID 66402058) is 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide?
The canonical SMILES for 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide is COCCNCc1cccn1CCC(N)=O.
What is the InChIKey of 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide?
The InChIKey is RBSUWHKABHXAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-8-5-13-9-10-3-2-6-14(10)7-4-11(12)15/h2-3,6,13H,4-5,7-9H2,1H3,(H2,12,15).
What are the key properties of 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide?
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 66402058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).