N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide

C15H27N3O — CID 79102774

IUPACN-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cccc1C(C)NCCC
InChIInChI=1S/C15H27N3O/c1-4-6-10-17-15(19)12-18-11-7-8-14(18)13(3)16-9-5-2/h7-8,11,13,16H,4-6,9-10,12H2,1-3H3,(H,17,19)
InChIKeyCXYPRJMSMIZGFJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds9

About N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide

N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79102774) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79102774
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cccc1C(C)NCCC
InChIInChI=1S/C15H27N3O/c1-4-6-10-17-15(19)12-18-11-7-8-14(18)13(3)16-9-5-2/h7-8,11,13,16H,4-6,9-10,12H2,1-3H3,(H,17,19)
InChIKeyCXYPRJMSMIZGFJ-UHFFFAOYSA-N
XLogP2.46
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (CID 79102774) is N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is CCCCNC(=O)Cn1cccc1C(C)NCCC.
What is the InChIKey of N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is CXYPRJMSMIZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-10-17-15(19)12-18-11-7-8-14(18)13(3)16-9-5-2/h7-8,11,13,16H,4-6,9-10,12H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79102774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).