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

C12H20N2O2 — CID 79104597

IUPAC4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
SMILESCCC(O)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyBDPSWWJIIPUQHG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.46
Rot. Bonds6

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

4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide (PubChem CID 79104597) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
PubChem CID79104597
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
SMILESCCC(O)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyBDPSWWJIIPUQHG-UHFFFAOYSA-N
XLogP1.46
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-hydroxypropyl)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

4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
methyl 4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanoate
CID 79104624
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
CID 82929201
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
CID 79109219
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
CID 79104858
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
CID 79173585
1-(azepan-1-yl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]ethanone
CID 79105113

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide (CID 79104597) is 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide is CCC(O)c1ccn(CCCC(=O)NC)c1.
What is the InChIKey of 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide?
The InChIKey is BDPSWWJIIPUQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,13,16).
What are the key properties of 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide?
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 79104597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).