3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione

C19H30N2O3Si — CID 58719562

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCCN1C(=O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H30N2O3Si/c1-19(2,3)25(4,5)24-15-9-13-21-17(22)12-14-20(18(21)23)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3
InChIKeyIMXLQPFUZZLROM-UHFFFAOYSA-N
MW362.55 g/mol
LogP4.26
Rot. Bonds6

About 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione

3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione (PubChem CID 58719562) has the molecular formula C19H30N2O3Si and a molecular weight of 362.55 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
PubChem CID58719562
Molecular FormulaC19H30N2O3Si
Molecular Weight362.55 g/mol
Exact Mass362.20
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCCN1C(=O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H30N2O3Si/c1-19(2,3)25(4,5)24-15-9-13-21-17(22)12-14-20(18(21)23)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3
InChIKeyIMXLQPFUZZLROM-UHFFFAOYSA-N
XLogP4.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
CID 152675325
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
CID 58721822
benzyl 4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-oxo-1,4-diazepane-1-carboxylate
CID 67074343
tert-butyl-dimethyl-[2-(3-phenyl-2H-imidazol-1-yl)ethoxy]silane
CID 141042117
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 101456517
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179
5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 21201664
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
CID 23114648

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione (CID 58719562) is 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione is CC(C)(C)[Si](C)(C)OCCCN1C(=O)CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is IMXLQPFUZZLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3Si/c1-19(2,3)25(4,5)24-15-9-13-21-17(22)12-14-20(18(21)23)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione?
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 362.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 58719562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).