tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate

C23H31N3O7 — CID 138694928

IUPACtert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCc1cccc2c1oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C23H31N3O7/c1-23(2,3)33-21(29)24-12-6-14-31-13-5-8-15-7-4-9-16-19(15)32-22(30)26(16)17-10-11-18(27)25-20(17)28/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,24,29)(H,25,27,28)
InChIKeyTYCUWIHEUNOBBO-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.44
Rot. Bonds9

About tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate

tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate (PubChem CID 138694928) has the molecular formula C23H31N3O7 and a molecular weight of 461.52 g/mol. Its IUPAC name is tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate
PubChem CID138694928
Molecular FormulaC23H31N3O7
Molecular Weight461.52 g/mol
Exact Mass461.22
IUPAC Nametert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCc1cccc2c1oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C23H31N3O7/c1-23(2,3)33-21(29)24-12-6-14-31-13-5-8-15-7-4-9-16-19(15)32-22(30)26(16)17-10-11-18(27)25-20(17)28/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,24,29)(H,25,27,28)
InChIKeyTYCUWIHEUNOBBO-UHFFFAOYSA-N
XLogP2.44
TPSA128.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.44
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'}

Analyze tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate with MolForge

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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
tert-butyl N-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695774
tert-butyl N-[3-[3-[7-bromo-3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-5-yl]prop-2-ynoxy]propyl]carbamate
CID 147973561
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]piperazine-1-carboxylate
CID 170978800
tert-butyl N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]carbamate
CID 138696063
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate
CID 159936581
tert-butyl 2-[2-[2-[2-[3-[1-[(3S)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]acetate
CID 166801083
3-[7-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 176736401
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
tert-butyl N-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]hex-5-ynyl]carbamate
CID 166118450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate (CID 138694928) is tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCCc1cccc2c1oc(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate?
The InChIKey is TYCUWIHEUNOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7/c1-23(2,3)33-21(29)24-12-6-14-31-13-5-8-15-7-4-9-16-19(15)32-22(30)26(16)17-10-11-18(27)25-20(17)28/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,24,29)(H,25,27,28).
What are the key properties of tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate?
tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate has a molecular weight of 461.52 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate is sourced from PubChem (CID 138694928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).