tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid

C24H33N3O8 — CID 138695345

IUPACtert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid
SMILESCC(C)(C)N(CCOCCOCCCc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C24H33N3O8/c1-24(2,3)26(22(30)31)10-12-34-14-13-33-11-4-5-16-6-7-17-19(15-16)35-23(32)27(17)18-8-9-20(28)25-21(18)29/h6-7,15,18H,4-5,8-14H2,1-3H3,(H,30,31)(H,25,28,29)
InChIKeyKTJLBLNTEITDNA-UHFFFAOYSA-N
MW491.54 g/mol
LogP2.32
Rot. Bonds11

About tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid

tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid (PubChem CID 138695345) has the molecular formula C24H33N3O8 and a molecular weight of 491.54 g/mol. Its IUPAC name is tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid
PubChem CID138695345
Molecular FormulaC24H33N3O8
Molecular Weight491.54 g/mol
Exact Mass491.23
IUPAC Nametert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid
SMILESCC(C)(C)N(CCOCCOCCCc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C24H33N3O8/c1-24(2,3)26(22(30)31)10-12-34-14-13-33-11-4-5-16-6-7-17-19(15-16)35-23(32)27(17)18-8-9-20(28)25-21(18)29/h6-7,15,18H,4-5,8-14H2,1-3H3,(H,30,31)(H,25,28,29)
InChIKeyKTJLBLNTEITDNA-UHFFFAOYSA-N
XLogP2.32
TPSA140.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid
CID 138695486
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
tert-butyl (E)-3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]prop-2-enoate
CID 177301843
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]propyl-methylcarbamic acid
CID 138696039
2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]acetic acid
CID 155189429
3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167712757
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156508255
3-[5-[3-(3-aminopropoxy)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694549
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid (CID 138695345) is tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid is CC(C)(C)N(CCOCCOCCCc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O)C(=O)O.
What is the InChIKey of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid?
The InChIKey is KTJLBLNTEITDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O8/c1-24(2,3)26(22(30)31)10-12-34-14-13-33-11-4-5-16-6-7-17-19(15-16)35-23(32)27(17)18-8-9-20(28)25-21(18)29/h6-7,15,18H,4-5,8-14H2,1-3H3,(H,30,31)(H,25,28,29).
What are the key properties of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid?
tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid has a molecular weight of 491.54 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid is sourced from PubChem (CID 138695345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).