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

C15H27N3O2 — CID 79098591

IUPACN-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C15H27N3O2/c1-4-7-16-13(2)14-6-9-18(11-14)12-15(19)17-8-5-10-20-3/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,17,19)
InChIKeyCKOFIDHIZBURHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.70
Rot. Bonds10

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

N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79098591) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79098591
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C15H27N3O2/c1-4-7-16-13(2)14-6-9-18(11-14)12-15(19)17-8-5-10-20-3/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,17,19)
InChIKeyCKOFIDHIZBURHX-UHFFFAOYSA-N
XLogP1.70
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.70
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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Related Compounds

N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098481
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
N-(cyanomethyl)-2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099531
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79109161
1-(azepan-1-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]ethanone
CID 79109034

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (CID 79098591) is N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is CCCNC(C)c1ccn(CC(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is CKOFIDHIZBURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-16-13(2)14-6-9-18(11-14)12-15(19)17-8-5-10-20-3/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.70, 10 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-(propylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79098591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).