2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide

C15H25N3O2 — CID 62035350

IUPAC2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1cc(C)n(C)c1C)CC(=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-7-18(10-15(20)16(4)5)9-14(19)13-8-11(2)17(6)12(13)3/h8H,7,9-10H2,1-6H3
InChIKeyHXAUQZDJYDDSMW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.23
Rot. Bonds6

About 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide

2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide (PubChem CID 62035350) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
PubChem CID62035350
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1cc(C)n(C)c1C)CC(=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-7-18(10-15(20)16(4)5)9-14(19)13-8-11(2)17(6)12(13)3/h8H,7,9-10H2,1-6H3
InChIKeyHXAUQZDJYDDSMW-UHFFFAOYSA-N
XLogP1.23
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide (CID 62035350) is 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)c1cc(C)n(C)c1C)CC(=O)N(C)C.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide?
The InChIKey is HXAUQZDJYDDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-7-18(10-15(20)16(4)5)9-14(19)13-8-11(2)17(6)12(13)3/h8H,7,9-10H2,1-6H3.
What are the key properties of 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).