N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C32H32N4O2 — CID 24998848

IUPACN-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCC(C)c1nc(C(C)(C)c2cccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)c2)cn1C
InChIInChI=1S/C32H32N4O2/c1-21(2)30-34-27(20-35(30)5)32(3,4)23-14-11-15-24(18-23)33-31(38)29(37)28-26(22-12-7-6-8-13-22)19-25-16-9-10-17-36(25)28/h6-21H,1-5H3,(H,33,38)
InChIKeyNQYJEPBIWZZMFM-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.61
Rot. Bonds7

About N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 24998848) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
PubChem CID24998848
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC NameN-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCC(C)c1nc(C(C)(C)c2cccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)c2)cn1C
InChIInChI=1S/C32H32N4O2/c1-21(2)30-34-27(20-35(30)5)32(3,4)23-14-11-15-24(18-23)33-31(38)29(37)28-26(22-12-7-6-8-13-22)19-25-16-9-10-17-36(25)28/h6-21H,1-5H3,(H,33,38)
InChIKeyNQYJEPBIWZZMFM-UHFFFAOYSA-N
XLogP6.61
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]-2-propan-2-ylbenzoic acid
CID 91265983
2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate
CID 24999782
N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106521
[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite
CID 174605876
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106374
2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate
CID 160836079
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326733
N-[4-[3-[(4,6-dimethyl-2-pyridinyl)-methylamino]propyl-methylamino]phenyl]-2-(6-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326730
N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethylamino]phenyl]-2-(5-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67105998

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The IUPAC name of N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 24998848) is N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.
What is the SMILES notation for N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The canonical SMILES for N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is CC(C)c1nc(C(C)(C)c2cccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)c2)cn1C.
What is the InChIKey of N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The InChIKey is NQYJEPBIWZZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c1-21(2)30-34-27(20-35(30)5)32(3,4)23-14-11-15-24(18-23)33-31(38)29(37)28-26(22-12-7-6-8-13-22)19-25-16-9-10-17-36(25)28/h6-21H,1-5H3,(H,33,38).
What are the key properties of N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 504.63 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 24998848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).