N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C22H24ClN3O3 — CID 55594092

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C22H24ClN3O3/c1-4-25(13-16-7-5-6-8-18(16)23)19(27)14-26-20(28)22(3,24-21(26)29)17-11-9-15(2)10-12-17/h5-12H,4,13-14H2,1-3H3,(H,24,29)
InChIKeyOJWMLVIDCLMMGG-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.46
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55594092) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55594092
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C22H24ClN3O3/c1-4-25(13-16-7-5-6-8-18(16)23)19(27)14-26-20(28)22(3,24-21(26)29)17-11-9-15(2)10-12-17/h5-12H,4,13-14H2,1-3H3,(H,24,29)
InChIKeyOJWMLVIDCLMMGG-UHFFFAOYSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.46
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

N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46653313
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595916
tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate
CID 55971455
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42908781
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24562007
ethyl 2-(N-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355319
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136699490

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55594092) is N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(Cc1ccccc1Cl)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OJWMLVIDCLMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-4-25(13-16-7-5-6-8-18(16)23)19(27)14-26-20(28)22(3,24-21(26)29)17-11-9-15(2)10-12-17/h5-12H,4,13-14H2,1-3H3,(H,24,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 413.91 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55594092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).