N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

C13H23N3O — CID 66401169

IUPACN-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-9-11-7-6-8-16(11)10-12(17)15-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3,(H,15,17)
InChIKeyJXMVANODGMFWBT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds5

About N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66401169) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66401169
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-9-11-7-6-8-16(11)10-12(17)15-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3,(H,15,17)
InChIKeyJXMVANODGMFWBT-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

2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352
N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402731
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652595
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66403516
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66401569
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66401169) is N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1cccn1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is JXMVANODGMFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-9-11-7-6-8-16(11)10-12(17)15-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide 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 N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66401169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).