2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide

C19H26N2O3 — CID 109389063

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide
SMILESCC(CCc1cccn1C)NC(=O)C(C)Oc1cccc(CO)c1
InChIInChI=1S/C19H26N2O3/c1-14(9-10-17-7-5-11-21(17)3)20-19(23)15(2)24-18-8-4-6-16(12-18)13-22/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,20,23)
InChIKeyJCGXGPVYRPWHGA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.42
Rot. Bonds8

About 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide

2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide (PubChem CID 109389063) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide
PubChem CID109389063
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide
SMILESCC(CCc1cccn1C)NC(=O)C(C)Oc1cccc(CO)c1
InChIInChI=1S/C19H26N2O3/c1-14(9-10-17-7-5-11-21(17)3)20-19(23)15(2)24-18-8-4-6-16(12-18)13-22/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,20,23)
InChIKeyJCGXGPVYRPWHGA-UHFFFAOYSA-N
XLogP2.42
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide 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

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
1-(2-hydroxyethyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111474130
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388934
1-(1-hydroxy-4-methylpentan-3-yl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111508276
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide (CID 109389063) is 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide is CC(CCc1cccn1C)NC(=O)C(C)Oc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide?
The InChIKey is JCGXGPVYRPWHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(9-10-17-7-5-11-21(17)3)20-19(23)15(2)24-18-8-4-6-16(12-18)13-22/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 109389063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).