3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione

C16H21N3O3 — CID 69235321

IUPAC3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)CNC1=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H21N3O3/c1-18(9-4-10-19-14(20)11-17-16(19)21)15-8-7-12-5-2-3-6-13(12)22-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,17,21)
InChIKeyMHEUFSYOEQWLLU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.21
Rot. Bonds5

About 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione

3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione (PubChem CID 69235321) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione
PubChem CID69235321
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)CNC1=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H21N3O3/c1-18(9-4-10-19-14(20)11-17-16(19)21)15-8-7-12-5-2-3-6-13(12)22-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,17,21)
InChIKeyMHEUFSYOEQWLLU-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[9H-fluoren-9-yl(methyl)amino]propyl]imidazolidine-2,4-dione
CID 71980718
3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione
CID 56799099
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
3-[2-[(2S)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]imidazolidine-2,4-dione
CID 161238359
3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
CID 71923300
3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
CID 107367635
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
CID 657207
3-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1,3-thiazolidine-2,4-dione
CID 56850665
3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
CID 115773268
3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75521538
3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
CID 51076814
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
CID 56819750

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione (CID 69235321) is 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione is CN(CCCN1C(=O)CNC1=O)C1CCc2ccccc2O1.
What is the InChIKey of 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione?
The InChIKey is MHEUFSYOEQWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18(9-4-10-19-14(20)11-17-16(19)21)15-8-7-12-5-2-3-6-13(12)22-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,17,21).
What are the key properties of 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione?
3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,4-dihydro-2H-chromen-2-yl(methyl)amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 69235321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).