2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide

C15H27N3O — CID 79105588

IUPAC2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCCC(NC)c1ccn(CC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-14(16-4)13-7-9-18(10-13)11-15(19)17-8-6-12(2)3/h7,9-10,12,14,16H,5-6,8,11H2,1-4H3,(H,17,19)
InChIKeyIDUVOSJSPLDDMM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds8

About 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide

2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 79105588) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID79105588
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCCC(NC)c1ccn(CC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-14(16-4)13-7-9-18(10-13)11-15(19)17-8-6-12(2)3/h7,9-10,12,14,16H,5-6,8,11H2,1-4H3,(H,17,19)
InChIKeyIDUVOSJSPLDDMM-UHFFFAOYSA-N
XLogP2.32
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide (CID 79105588) is 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide is CCC(NC)c1ccn(CC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is IDUVOSJSPLDDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-14(16-4)13-7-9-18(10-13)11-15(19)17-8-6-12(2)3/h7,9-10,12,14,16H,5-6,8,11H2,1-4H3,(H,17,19).
What are the key properties of 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79105588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).