4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide

C14H25N3O — CID 79105157

IUPAC4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
SMILESCCNC(CC)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C14H25N3O/c1-4-13(16-5-2)12-8-10-17(11-12)9-6-7-14(18)15-3/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyCJLGRORCVDRAHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds8

About 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide

4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide (PubChem CID 79105157) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
PubChem CID79105157
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
SMILESCCNC(CC)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C14H25N3O/c1-4-13(16-5-2)12-8-10-17(11-12)9-6-7-14(18)15-3/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyCJLGRORCVDRAHP-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

Analyze 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
methyl 4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanoate
CID 79104624
N-ethyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]propan-1-amine
CID 113326680
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788
N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810
5-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79105436
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide (CID 79105157) is 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide is CCNC(CC)c1ccn(CCCC(=O)NC)c1.
What is the InChIKey of 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide?
The InChIKey is CJLGRORCVDRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-13(16-5-2)12-8-10-17(11-12)9-6-7-14(18)15-3/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,15,18).
What are the key properties of 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide?
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide 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 4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 79105157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).