N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C22H21N5O4 — CID 9294546

IUPACN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O
InChIInChI=1S/C22H21N5O4/c1-3-22(14-9-5-4-6-10-14)20(30)27(21(31)23-22)25-18(28)13-17-15-11-7-8-12-16(15)19(29)26(2)24-17/h4-12H,3,13H2,1-2H3,(H,23,31)(H,25,28)/t22-/m0/s1
InChIKeyLYALLONGLFYVBK-QFIPXVFZSA-N
MW419.44 g/mol
LogP1.36
Rot. Bonds5

About N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 9294546) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID9294546
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O
InChIInChI=1S/C22H21N5O4/c1-3-22(14-9-5-4-6-10-14)20(30)27(21(31)23-22)25-18(28)13-17-15-11-7-8-12-16(15)19(29)26(2)24-17/h4-12H,3,13H2,1-2H3,(H,23,31)(H,25,28)/t22-/m0/s1
InChIKeyLYALLONGLFYVBK-QFIPXVFZSA-N
XLogP1.36
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9294680
benzyl-ethyl-[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8564244
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 9294546) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LYALLONGLFYVBK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-3-22(14-9-5-4-6-10-14)20(30)27(21(31)23-22)25-18(28)13-17-15-11-7-8-12-16(15)19(29)26(2)24-17/h4-12H,3,13H2,1-2H3,(H,23,31)(H,25,28)/t22-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 9294546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).