(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone

C20H26N2O2 — CID 2742315

IUPAC(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-17(19(23)21-10-12-24-13-11-21)14-18(20(2,3)4)22(15)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3
InChIKeyAKKBKYRPIMIZFJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.56
Rot. Bonds2

About (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone

(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone (PubChem CID 2742315) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone
PubChem CID2742315
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-17(19(23)21-10-12-24-13-11-21)14-18(20(2,3)4)22(15)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3
InChIKeyAKKBKYRPIMIZFJ-UHFFFAOYSA-N
XLogP3.56
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone (CID 2742315) is (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1.
What is the InChIKey of (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is AKKBKYRPIMIZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-17(19(23)21-10-12-24-13-11-21)14-18(20(2,3)4)22(15)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone?
(5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methyl-1-phenylpyrrol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2742315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).