3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one

C14H19N3O4 — CID 83252754

IUPAC3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCOCC(C)CN1C(=O)CNC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(9-21-2)8-16-13(18)7-15-14(16)11-4-3-5-12(6-11)17(19)20/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyCDHQKMRQNUKLOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.31
Rot. Bonds6

About 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one

3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one (PubChem CID 83252754) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one
PubChem CID83252754
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCOCC(C)CN1C(=O)CNC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(9-21-2)8-16-13(18)7-15-14(16)11-4-3-5-12(6-11)17(19)20/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyCDHQKMRQNUKLOJ-UHFFFAOYSA-N
XLogP1.31
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983283
3-(4-methoxybutan-2-yl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83268031
3-[2-(dimethylamino)propyl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83249778
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
methyl (6R)-3-[(2R)-1-methoxypropan-2-yl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 9449508
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134
2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
CID 84599243
5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83249591

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one (CID 83252754) is 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one is COCC(C)CN1C(=O)CNC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The InChIKey is CDHQKMRQNUKLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(9-21-2)8-16-13(18)7-15-14(16)11-4-3-5-12(6-11)17(19)20/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one has a molecular weight of 293.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83252754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).