tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate

C20H28N2O5 — CID 166604130

IUPACtert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)N(CCOCc2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C20H28N2O5/c1-19(2,3)27-16(23)13-21-17(24)20(4,5)22(18(21)25)11-12-26-14-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3
InChIKeyWQHDRCGMVKRTCD-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.59
Rot. Bonds7

About tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate

tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate (PubChem CID 166604130) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
PubChem CID166604130
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)N(CCOCc2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C20H28N2O5/c1-19(2,3)27-16(23)13-21-17(24)20(4,5)22(18(21)25)11-12-26-14-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3
InChIKeyWQHDRCGMVKRTCD-UHFFFAOYSA-N
XLogP2.59
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485
5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
CID 21460407
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
CID 72841415
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl 2-[2-[2-[2-[2-[2-[3,5-bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 86607046
tert-butyl 5-[2-[4-(4-oxo-4-phenylmethoxybutyl)piperazin-1-yl]ethoxy]pentanoate
CID 163463594
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
tert-butyl 4,4-dimethyl-2,5-dioxo-3-(phenylsulfanylmethyl)imidazolidine-1-carboxylate
CID 11530403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate (CID 166604130) is tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)N(CCOCc2ccccc2)C(C)(C)C1=O.
What is the InChIKey of tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate?
The InChIKey is WQHDRCGMVKRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-19(2,3)27-16(23)13-21-17(24)20(4,5)22(18(21)25)11-12-26-14-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3.
What are the key properties of tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate?
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate has a molecular weight of 376.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 166604130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).