2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C19H22N2O3 — CID 3237476

IUPAC2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(19(23)20-13-16-9-6-12-24-16)21-11-5-10-17(21)18(22)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3,(H,20,23)
InChIKeyJSAXCBKSGWNLOS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3237476) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3237476
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(19(23)20-13-16-9-6-12-24-16)21-11-5-10-17(21)18(22)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3,(H,20,23)
InChIKeyJSAXCBKSGWNLOS-UHFFFAOYSA-N
XLogP2.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
2-benzylsulfanyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 134040205
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 3237476) is 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JSAXCBKSGWNLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(19(23)20-13-16-9-6-12-24-16)21-11-5-10-17(21)18(22)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3,(H,20,23).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3237476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).