N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

C13H23N3O2 — CID 79098551

IUPACN-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C13H23N3O2/c1-11(14-2)12-5-7-16(9-12)10-13(17)15-6-4-8-18-3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,15,17)
InChIKeyZOZZENBTKXPNNS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.92
Rot. Bonds8

About N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79098551) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79098551
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C13H23N3O2/c1-11(14-2)12-5-7-16(9-12)10-13(17)15-6-4-8-18-3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,15,17)
InChIKeyZOZZENBTKXPNNS-UHFFFAOYSA-N
XLogP0.92
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79098551) is N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1ccn(CC(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is ZOZZENBTKXPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(14-2)12-5-7-16(9-12)10-13(17)15-6-4-8-18-3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79098551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).