N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide

C14H23N3O — CID 66404152

IUPACN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyJNINQOFWEPETGJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds5

About N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide

N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66404152) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66404152
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyJNINQOFWEPETGJ-UHFFFAOYSA-N
XLogP1.65
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
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-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (CID 66404152) is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1.
What is the InChIKey of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is JNINQOFWEPETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 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-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).