2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide

C15H27N3O — CID 79102365

IUPAC2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc1C(C)NCC
InChIInChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)11-18-10-7-9-14(18)13(4)16-6-2/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H,17,19)
InChIKeyXKGCWOQOLVFQRM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds8

About 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide

2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 79102365) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
PubChem CID79102365
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc1C(C)NCC
InChIInChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)11-18-10-7-9-14(18)13(4)16-6-2/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H,17,19)
InChIKeyXKGCWOQOLVFQRM-UHFFFAOYSA-N
XLogP2.46
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 79102465
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79102262
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79108513
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (CID 79102365) is 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cccc1C(C)NCC.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is XKGCWOQOLVFQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)11-18-10-7-9-14(18)13(4)16-6-2/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 265.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 79102365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).