2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide

C13H23N3O — CID 79605008

IUPAC2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
SMILESCCn1c(C)cc(CNC(C)(C)C(N)=O)c1C
InChIInChI=1S/C13H23N3O/c1-6-16-9(2)7-11(10(16)3)8-15-13(4,5)12(14)17/h7,15H,6,8H2,1-5H3,(H2,14,17)
InChIKeyBAHBQPZWFDMHFO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds5

About 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide

2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide (PubChem CID 79605008) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
PubChem CID79605008
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
SMILESCCn1c(C)cc(CNC(C)(C)C(N)=O)c1C
InChIInChI=1S/C13H23N3O/c1-6-16-9(2)7-11(10(16)3)8-15-13(4,5)12(14)17/h7,15H,6,8H2,1-5H3,(H2,14,17)
InChIKeyBAHBQPZWFDMHFO-UHFFFAOYSA-N
XLogP1.48
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide (CID 79605008) is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide is CCn1c(C)cc(CNC(C)(C)C(N)=O)c1C.
What is the InChIKey of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide?
The InChIKey is BAHBQPZWFDMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-16-9(2)7-11(10(16)3)8-15-13(4,5)12(14)17/h7,15H,6,8H2,1-5H3,(H2,14,17).
What are the key properties of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide?
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 79605008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).