(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C23H25N3O3 — CID 9294237

IUPAC(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-4-23(19-8-6-5-7-9-19)21(28)26(22(29)24-23)25-20(27)15-12-17-10-13-18(14-11-17)16(2)3/h5-16H,4H2,1-3H3,(H,24,29)(H,25,27)/b15-12+/t23-/m0/s1
InChIKeyAJDAWMYHUIQNGC-UXZSZYKQSA-N
MW391.47 g/mol
LogP3.71
Rot. Bonds6

About (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 9294237) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID9294237
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-4-23(19-8-6-5-7-9-19)21(28)26(22(29)24-23)25-20(27)15-12-17-10-13-18(14-11-17)16(2)3/h5-16H,4H2,1-3H3,(H,24,29)(H,25,27)/b15-12+/t23-/m0/s1
InChIKeyAJDAWMYHUIQNGC-UXZSZYKQSA-N
XLogP3.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 9294237) is (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is AJDAWMYHUIQNGC-UXZSZYKQSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-23(19-8-6-5-7-9-19)21(28)26(22(29)24-23)25-20(27)15-12-17-10-13-18(14-11-17)16(2)3/h5-16H,4H2,1-3H3,(H,24,29)(H,25,27)/b15-12+/t23-/m0/s1.
What are the key properties of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 9294237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).