2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide

C15H25N3O3 — CID 66402639

IUPAC2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOCCNCc1cccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-20-10-6-16-11-14-3-2-7-18(14)12-15(19)17-13-4-8-21-9-5-13/h2-3,7,13,16H,4-6,8-12H2,1H3,(H,17,19)
InChIKeyONBUKXHONBFGPF-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.52
Rot. Bonds8

About 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 66402639) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID66402639
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOCCNCc1cccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-20-10-6-16-11-14-3-2-7-18(14)12-15(19)17-13-4-8-21-9-5-13/h2-3,7,13,16H,4-6,8-12H2,1H3,(H,17,19)
InChIKeyONBUKXHONBFGPF-UHFFFAOYSA-N
XLogP0.52
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66400704
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 105421747
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide (CID 66402639) is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide is COCCNCc1cccn1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is ONBUKXHONBFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-20-10-6-16-11-14-3-2-7-18(14)12-15(19)17-13-4-8-21-9-5-13/h2-3,7,13,16H,4-6,8-12H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66402639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).