N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C21H22N4O5 — CID 7179163

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O
InChIInChI=1S/C21H22N4O5/c1-4-21(15-8-6-5-7-9-15)19(27)24(20(28)23-21)12-17(26)22-18-14(3)13(2)10-11-16(18)25(29)30/h5-11H,4,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m1/s1
InChIKeyPUICNNVHERKVAY-OAQYLSRUSA-N
MW410.43 g/mol
LogP3.01
Rot. Bonds6

About N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7179163) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7179163
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O
InChIInChI=1S/C21H22N4O5/c1-4-21(15-8-6-5-7-9-15)19(27)24(20(28)23-21)12-17(26)22-18-14(3)13(2)10-11-16(18)25(29)30/h5-11H,4,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m1/s1
InChIKeyPUICNNVHERKVAY-OAQYLSRUSA-N
XLogP3.01
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7169987
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7704200
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
methyl 3-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methylbenzoate
CID 16550511
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 55411899
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
ethyl 5-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30795038
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7179163) is N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is PUICNNVHERKVAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-4-21(15-8-6-5-7-9-15)19(27)24(20(28)23-21)12-17(26)22-18-14(3)13(2)10-11-16(18)25(29)30/h5-11H,4,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m1/s1.
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7179163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).