tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate

C38H47N5O6 — CID 123488061

About tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate (PubChem CID 123488061) has the molecular formula C38H47N5O6 and a molecular weight of 669.82 g/mol. Its IUPAC name is tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
• PubChem CID: 123488061
• Molecular Formula: C38H47N5O6
• Molecular Weight: 669.82 g/mol
• Exact Mass: 669.35
• IUPAC Name: tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
• SMILES: COc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12
• InChI: InChI=1S/C38H47N5O6/c1-36(2,3)48-34(44)39-27-18-22-43(23-19-27)33-40-31(46-7)29-28(24-12-9-8-10-13-24)30(47-32(29)41-33)25-14-16-26(17-15-25)38(20-11-21-38)42-35(45)49-37(4,5)6/h8-10,12-17,27H,11,18-23H2,1-7H3,(H,39,44)(H,42,45)
• InChIKey: WZNTWCSZHGPZAI-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 128.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.82
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate (CID 123488061) is tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate is COc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12.

What is the InChIKey of tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The InChIKey is WZNTWCSZHGPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N5O6/c1-36(2,3)48-34(44)39-27-18-22-43(23-19-27)33-40-31(46-7)29-28(24-12-9-8-10-13-24)30(47-32(29)41-33)25-14-16-26(17-15-25)38(20-11-21-38)42-35(45)49-37(4,5)6/h8-10,12-17,27H,11,18-23H2,1-7H3,(H,39,44)(H,42,45).

What are the key properties of tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 669.82 g/mol, XLogP of 7.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 123488061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).