N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide

C14H25N3O — CID 79109894

IUPACN-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
SMILESCCCC(NC)c1ccn(CCC(=O)NCC)c1
InChIInChI=1S/C14H25N3O/c1-4-6-13(15-3)12-7-9-17(11-12)10-8-14(18)16-5-2/h7,9,11,13,15H,4-6,8,10H2,1-3H3,(H,16,18)
InChIKeyVTZBJJIPIZZPTN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds8

About N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide

N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide (PubChem CID 79109894) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
PubChem CID79109894
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
SMILESCCCC(NC)c1ccn(CCC(=O)NCC)c1
InChIInChI=1S/C14H25N3O/c1-4-6-13(15-3)12-7-9-17(11-12)10-8-14(18)16-5-2/h7,9,11,13,15H,4-6,8,10H2,1-3H3,(H,16,18)
InChIKeyVTZBJJIPIZZPTN-UHFFFAOYSA-N
XLogP2.07
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide (CID 79109894) is N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide is CCCC(NC)c1ccn(CCC(=O)NCC)c1.
What is the InChIKey of N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The InChIKey is VTZBJJIPIZZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-13(15-3)12-7-9-17(11-12)10-8-14(18)16-5-2/h7,9,11,13,15H,4-6,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide has a molecular weight of 251.37 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 79109894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).