N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide

C15H27N3O — CID 115356298

IUPACN-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
SMILESCCn1c(C)cc(CNCC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-7-18-11(2)8-13(12(18)3)9-16-10-14(19)17-15(4,5)6/h8,16H,7,9-10H2,1-6H3,(H,17,19)
InChIKeyIVWVAIUXGVOSHT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.13
Rot. Bonds5

About N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide

N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide (PubChem CID 115356298) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
PubChem CID115356298
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
SMILESCCn1c(C)cc(CNCC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-7-18-11(2)8-13(12(18)3)9-16-10-14(19)17-15(4,5)6/h8,16H,7,9-10H2,1-6H3,(H,17,19)
InChIKeyIVWVAIUXGVOSHT-UHFFFAOYSA-N
XLogP2.13
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide (CID 115356298) is N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide is CCn1c(C)cc(CNCC(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The InChIKey is IVWVAIUXGVOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-18-11(2)8-13(12(18)3)9-16-10-14(19)17-15(4,5)6/h8,16H,7,9-10H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide is sourced from PubChem (CID 115356298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).