9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate

C31H34N2O8 — CID 170835367

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate (PubChem CID 170835367) has the molecular formula C31H34N2O8 and a molecular weight of 562.62 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate
• PubChem CID: 170835367
• Molecular Formula: C31H34N2O8
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.23
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate
• SMILES: COc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCC(=O)N1CCOCC1
• InChI: InChI=1S/C31H34N2O8/c1-38-28-16-20(10-11-27(28)40-19-29(35)33-12-14-39-15-13-33)30(36)26(34)17-32-31(37)41-18-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-11,16,25-26,30,34,36H,12-15,17-19H2,1H3,(H,32,37)
• InChIKey: SHNNTUSRXUARGC-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 126.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate (CID 170835367) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate is COc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCC(=O)N1CCOCC1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate?

The InChIKey is SHNNTUSRXUARGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O8/c1-38-28-16-20(10-11-27(28)40-19-29(35)33-12-14-39-15-13-33)30(36)26(34)17-32-31(37)41-18-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-11,16,25-26,30,34,36H,12-15,17-19H2,1H3,(H,32,37).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate has a molecular weight of 562.62 g/mol, XLogP of 2.87, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate is sourced from PubChem (CID 170835367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).