2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

C14H25N3O — CID 79099870

IUPAC2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCNC(C)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-6-15-12(4)13-7-8-17(9-13)10-14(18)16(5)11(2)3/h7-9,11-12,15H,6,10H2,1-5H3
InChIKeyGIDKXJFKHCJZSV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds6

About 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 79099870) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID79099870
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCNC(C)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-6-15-12(4)13-7-8-17(9-13)10-14(18)16(5)11(2)3/h7-9,11-12,15H,6,10H2,1-5H3
InChIKeyGIDKXJFKHCJZSV-UHFFFAOYSA-N
XLogP2.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79110021
2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 79108707
N-(cyanomethyl)-2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099531
butyl 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79099646
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
CID 79099547
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355617
N-ethyl-1-[1-(4-phenylbutyl)pyrrol-3-yl]ethanamine
CID 114334322
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]butanenitrile
CID 79099532
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 79099870) is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is CCNC(C)c1ccn(CC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GIDKXJFKHCJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-15-12(4)13-7-8-17(9-13)10-14(18)16(5)11(2)3/h7-9,11-12,15H,6,10H2,1-5H3.
What are the key properties of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 251.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79099870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).