2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide

C13H23N3O — CID 66401632

IUPAC2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cccc1CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-12(17)10-16-8-6-7-11(16)9-15-13(2,3)4/h6-8,15H,5,9-10H2,1-4H3,(H,14,17)
InChIKeyUWGIUGHTDLHVGQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide

2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide (PubChem CID 66401632) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
PubChem CID66401632
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cccc1CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-12(17)10-16-8-6-7-11(16)9-15-13(2,3)4/h6-8,15H,5,9-10H2,1-4H3,(H,14,17)
InChIKeyUWGIUGHTDLHVGQ-UHFFFAOYSA-N
XLogP1.51
TPSA46.06 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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
propan-2-yl 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]acetate
CID 66402993
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-ethyl-2-(3-hydroxy-2-oxo-1-pyridinyl)acetamide
CID 13336730
3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 66401250
N-ethyl-2-(2-formylpyrrol-1-yl)acetamide
CID 66410312
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
CID 62325908

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide (CID 66401632) is 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cccc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide?
The InChIKey is UWGIUGHTDLHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-12(17)10-16-8-6-7-11(16)9-15-13(2,3)4/h6-8,15H,5,9-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide?
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide has a molecular weight of 237.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 66401632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).