2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

C30H30N4O3 — CID 23649432

IUPAC2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H30N4O3/c1-21(2)33(29(37)18-23-14-16-24(17-15-23)22(3)35)20-28(36)32-30-31-27(25-10-6-4-7-11-25)19-34(30)26-12-8-5-9-13-26/h4-17,19,21H,18,20H2,1-3H3,(H,31,32,36)
InChIKeyVYMMBBREELQIMY-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.16
Rot. Bonds9

About 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 23649432) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID23649432
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H30N4O3/c1-21(2)33(29(37)18-23-14-16-24(17-15-23)22(3)35)20-28(36)32-30-31-27(25-10-6-4-7-11-25)19-34(30)26-12-8-5-9-13-26/h4-17,19,21H,18,20H2,1-3H3,(H,31,32,36)
InChIKeyVYMMBBREELQIMY-UHFFFAOYSA-N
XLogP5.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 23649432) is 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is VYMMBBREELQIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-21(2)33(29(37)18-23-14-16-24(17-15-23)22(3)35)20-28(36)32-30-31-27(25-10-6-4-7-11-25)19-34(30)26-12-8-5-9-13-26/h4-17,19,21H,18,20H2,1-3H3,(H,31,32,36).
What are the key properties of 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 494.60 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 23649432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).