tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate

C28H28N2O3 — CID 86674394

IUPACtert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4cccnc34)cc2)CCC1
InChIInChI=1S/C28H28N2O3/c1-27(2,3)33-26(31)30-28(16-8-17-28)21-14-12-19(13-15-21)23-24-22(11-7-18-29-24)32-25(23)20-9-5-4-6-10-20/h4-7,9-15,18H,8,16-17H2,1-3H3,(H,30,31)
InChIKeyYRQDCSZESGWVKJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.07
Rot. Bonds4

About tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate (PubChem CID 86674394) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate
PubChem CID86674394
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Nametert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4cccnc34)cc2)CCC1
InChIInChI=1S/C28H28N2O3/c1-27(2,3)33-26(31)30-28(16-8-17-28)21-14-12-19(13-15-21)23-24-22(11-7-18-29-24)32-25(23)20-9-5-4-6-10-20/h4-7,9-15,18H,8,16-17H2,1-3H3,(H,30,31)
InChIKeyYRQDCSZESGWVKJ-UHFFFAOYSA-N
XLogP7.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
CID 86671058
tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67207846
tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate
CID 67205775
5-methyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-3-phenylfuro[3,2-c]pyridine-7-carboxylic acid
CID 67206597
tert-butyl N-[1-[4-(3-methyl-2-methylsulfonyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67206656
tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207219
tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207519
tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 71073695
tert-butyl N-[1-[4-[3-ethyl-2-(2-hydroxyethylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 71073577
tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
CID 175356304
tert-butyl N-[1-[4-[5-[2-(2-hydroxyethylamino)phenyl]furo[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 123508774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate (CID 86674394) is tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4cccnc34)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is YRQDCSZESGWVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-27(2,3)33-26(31)30-28(16-8-17-28)21-14-12-19(13-15-21)23-24-22(11-7-18-29-24)32-25(23)20-9-5-4-6-10-20/h4-7,9-15,18H,8,16-17H2,1-3H3,(H,30,31).
What are the key properties of tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 86674394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).