2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide

C34H41N3O3 — CID 68638695

IUPAC2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide
SMILESCCC1(CC)C(=O)N(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C34H41N3O3/c1-8-34(9-2)32(39)36(33(40)37(34)26-20-18-24(7)19-21-26)30(25-14-11-10-12-15-25)31(38)35-29-27(22(3)4)16-13-17-28(29)23(5)6/h10-23,30H,8-9H2,1-7H3,(H,35,38)
InChIKeyMOPQBJTVTGKUJD-UHFFFAOYSA-N
MW539.72 g/mol
LogP7.95
Rot. Bonds9

About 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide

2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide (PubChem CID 68638695) has the molecular formula C34H41N3O3 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide
PubChem CID68638695
Molecular FormulaC34H41N3O3
Molecular Weight539.72 g/mol
Exact Mass539.31
IUPAC Name2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide
SMILESCCC1(CC)C(=O)N(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C34H41N3O3/c1-8-34(9-2)32(39)36(33(40)37(34)26-20-18-24(7)19-21-26)30(25-14-11-10-12-15-25)31(38)35-29-27(22(3)4)16-13-17-28(29)23(5)6/h10-23,30H,8-9H2,1-7H3,(H,35,38)
InChIKeyMOPQBJTVTGKUJD-UHFFFAOYSA-N
XLogP7.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 25190995
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
2-[8-benzoyl-1-(4-methylphenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46892741
2-(2,2-diphenylethylamino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 19874877
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
N-[4-chloro-2,6-di(propan-2-yl)phenyl]-N'-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-phenylpropanediamide
CID 126695533
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
CID 15945258
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide (CID 68638695) is 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide is CCC1(CC)C(=O)N(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is MOPQBJTVTGKUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O3/c1-8-34(9-2)32(39)36(33(40)37(34)26-20-18-24(7)19-21-26)30(25-14-11-10-12-15-25)31(38)35-29-27(22(3)4)16-13-17-28(29)23(5)6/h10-23,30H,8-9H2,1-7H3,(H,35,38).
What are the key properties of 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide?
2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 539.72 g/mol, XLogP of 7.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 68638695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).