ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate

C16H19N3O7 — CID 97320229

IUPACethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
SMILESCCOC(=O)COCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C16H19N3O7/c1-3-26-13(20)10-25-9-8-18-14(21)16(2,17-15(18)22)11-4-6-12(7-5-11)19(23)24/h4-7H,3,8-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyXMRVVBYPYMYSJV-MRXNPFEDSA-N
MW365.34 g/mol
LogP0.94
Rot. Bonds8

About ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate

ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate (PubChem CID 97320229) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
PubChem CID97320229
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Nameethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
SMILESCCOC(=O)COCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C16H19N3O7/c1-3-26-13(20)10-25-9-8-18-14(21)16(2,17-15(18)22)11-4-6-12(7-5-11)19(23)24/h4-7H,3,8-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyXMRVVBYPYMYSJV-MRXNPFEDSA-N
XLogP0.94
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

ethyl 2-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425550
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
CID 75425557
ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553
(4-nitrophenyl)methyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710892
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214
ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate
CID 56556505
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
5-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 75394000
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate (CID 97320229) is ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate is CCOC(=O)COCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate?
The InChIKey is XMRVVBYPYMYSJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O7/c1-3-26-13(20)10-25-9-8-18-14(21)16(2,17-15(18)22)11-4-6-12(7-5-11)19(23)24/h4-7H,3,8-10H2,1-2H3,(H,17,22)/t16-/m1/s1.
What are the key properties of ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate?
ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate has a molecular weight of 365.34 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate is sourced from PubChem (CID 97320229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).