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

C14H25N3O — CID 79101682

IUPACN-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCCCNC(C)c1cccn1CCC(=O)NCC
InChIInChI=1S/C14H25N3O/c1-4-9-16-12(3)13-7-6-10-17(13)11-8-14(18)15-5-2/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,15,18)
InChIKeyJBGZEEJMXOFHON-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds8

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

N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide (PubChem CID 79101682) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
PubChem CID79101682
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCCCNC(C)c1cccn1CCC(=O)NCC
InChIInChI=1S/C14H25N3O/c1-4-9-16-12(3)13-7-6-10-17(13)11-8-14(18)15-5-2/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,15,18)
InChIKeyJBGZEEJMXOFHON-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

N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
3-(2-acetylpyrrol-1-yl)-N-ethylpropanamide
CID 79107452
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide (CID 79101682) is N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide is CCCNC(C)c1cccn1CCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide?
The InChIKey is JBGZEEJMXOFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-16-12(3)13-7-6-10-17(13)11-8-14(18)15-5-2/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide?
N-ethyl-3-[2-[1-(propylamino)ethyl]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-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 79101682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).