3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C14H18N4O4 — CID 3095535

IUPAC3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H18N4O4/c1-14(10-4-6-11(7-5-10)18(21)22)12(19)17(13(20)15-14)9-8-16(2)3/h4-7H,8-9H2,1-3H3,(H,15,20)
InChIKeyPMZQGQSTVUSAED-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.92
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 3095535) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID3095535
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H18N4O4/c1-14(10-4-6-11(7-5-10)18(21)22)12(19)17(13(20)15-14)9-8-16(2)3/h4-7H,8-9H2,1-3H3,(H,15,20)
InChIKeyPMZQGQSTVUSAED-UHFFFAOYSA-N
XLogP0.92
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
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

5-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
(5S)-3-methyl-5-[(4-nitrophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2823591
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 9502285
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 18074157
1-[2-(4-Nitrophenyl)propanoyl]pyrrolidine
CID 2944521
Hydantoin, 5-(4-dimethylaminophenyl)-
CID 3040363
N-Methyl-2-(4-nitro-phenyl)-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 398839
2-(2,4-diketo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2583467
3-[(4-Nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622540

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 3095535) is 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is CN(C)CCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is PMZQGQSTVUSAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-14(10-4-6-11(7-5-10)18(21)22)12(19)17(13(20)15-14)9-8-16(2)3/h4-7H,8-9H2,1-3H3,(H,15,20).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3095535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).