2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide

C15H27N3O2 — CID 66404406

IUPAC2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc(CNCCOC)c1
InChIInChI=1S/C15H27N3O2/c1-4-14(5-2)17-15(19)12-18-8-6-13(11-18)10-16-7-9-20-3/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3,(H,17,19)
InChIKeyYQDUBSFKGVUEGG-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.53
Rot. Bonds10

About 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide

2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide (PubChem CID 66404406) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
PubChem CID66404406
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc(CNCCOC)c1
InChIInChI=1S/C15H27N3O2/c1-4-14(5-2)17-15(19)12-18-8-6-13(11-18)10-16-7-9-20-3/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3,(H,17,19)
InChIKeyYQDUBSFKGVUEGG-UHFFFAOYSA-N
XLogP1.53
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.53
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-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79103265
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
CID 114038919
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-[[1-[(3-bromophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404821
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide (CID 66404406) is 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ccc(CNCCOC)c1.
What is the InChIKey of 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is YQDUBSFKGVUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-14(5-2)17-15(19)12-18-8-6-13(11-18)10-16-7-9-20-3/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide?
2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 66404406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).