N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

C28H30N4O3 — CID 40781626

IUPACN-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)C2=O)cc1
InChIInChI=1S/C28H30N4O3/c1-19(2)32(24-16-14-23(15-17-24)29-22-8-6-5-7-9-22)25(33)18-31-26(34)28(4,30-27(31)35)21-12-10-20(3)11-13-21/h5-17,19,29H,18H2,1-4H3,(H,30,35)/t28-/m1/s1
InChIKeyABDRGFOVWITSNK-MUUNZHRXSA-N
MW470.57 g/mol
LogP4.95
Rot. Bonds7

About N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 40781626) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID40781626
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)C2=O)cc1
InChIInChI=1S/C28H30N4O3/c1-19(2)32(24-16-14-23(15-17-24)29-22-8-6-5-7-9-22)25(33)18-31-26(34)28(4,30-27(31)35)21-12-10-20(3)11-13-21/h5-17,19,29H,18H2,1-4H3,(H,30,35)/t28-/m1/s1
InChIKeyABDRGFOVWITSNK-MUUNZHRXSA-N
XLogP4.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 112775758
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
2-[cyclopropyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 122067032
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 134057951
N-[3-[1-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46533516
ethyl 2-(N-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355319
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (CID 40781626) is N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ABDRGFOVWITSNK-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-19(2)32(24-16-14-23(15-17-24)29-22-8-6-5-7-9-22)25(33)18-31-26(34)28(4,30-27(31)35)21-12-10-20(3)11-13-21/h5-17,19,29H,18H2,1-4H3,(H,30,35)/t28-/m1/s1.
What are the key properties of N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 470.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 40781626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).