tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

C29H32N2O4 — CID 67206559

IUPACtert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2occc21
InChIInChI=1S/C29H32N2O4/c1-28(2,3)35-27(32)30-29(16-8-17-29)21-11-13-22(14-12-21)31-19-24-23(15-18-34-24)26(33-4)25(31)20-9-6-5-7-10-20/h5-7,9-15,18H,8,16-17,19H2,1-4H3,(H,30,32)
InChIKeyQGEMLPAWGAMBBR-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.68
Rot. Bonds5

About tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (PubChem CID 67206559) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
PubChem CID67206559
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Nametert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2occc21
InChIInChI=1S/C29H32N2O4/c1-28(2,3)35-27(32)30-29(16-8-17-29)21-11-13-22(14-12-21)31-19-24-23(15-18-34-24)26(33-4)25(31)20-9-6-5-7-10-20/h5-7,9-15,18H,8,16-17,19H2,1-4H3,(H,30,32)
InChIKeyQGEMLPAWGAMBBR-UHFFFAOYSA-N
XLogP6.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (CID 67206559) is tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is COC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2occc21.
What is the InChIKey of tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is QGEMLPAWGAMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-28(2,3)35-27(32)30-29(16-8-17-29)21-11-13-22(14-12-21)31-19-24-23(15-18-34-24)26(33-4)25(31)20-9-6-5-7-10-20/h5-7,9-15,18H,8,16-17,19H2,1-4H3,(H,30,32).
What are the key properties of tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 472.59 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67206559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).