4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

C11H18N2O2 — CID 115163151

IUPAC4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCN(CCc1cc[nH]c1)C(=O)CCCO
InChIInChI=1S/C11H18N2O2/c1-13(11(15)3-2-8-14)7-5-10-4-6-12-9-10/h4,6,9,12,14H,2-3,5,7-8H2,1H3
InChIKeyGDVTVTKUYTVWIL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.79
Rot. Bonds6

About 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (PubChem CID 115163151) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
PubChem CID115163151
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCN(CCc1cc[nH]c1)C(=O)CCCO
InChIInChI=1S/C11H18N2O2/c1-13(11(15)3-2-8-14)7-5-10-4-6-12-9-10/h4,6,9,12,14H,2-3,5,7-8H2,1H3
InChIKeyGDVTVTKUYTVWIL-UHFFFAOYSA-N
XLogP0.79
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide 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

2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091
2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115175244
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (CID 115163151) is 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is CN(CCc1cc[nH]c1)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The InChIKey is GDVTVTKUYTVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(11(15)3-2-8-14)7-5-10-4-6-12-9-10/h4,6,9,12,14H,2-3,5,7-8H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is sourced from PubChem (CID 115163151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).