9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate

C31H32N2O6 — CID 169470723

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

9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate (PubChem CID 169470723) has the molecular formula C31H32N2O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate
• PubChem CID: 169470723
• Molecular Formula: C31H32N2O6
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.23
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate
• SMILES: COc1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCC(=O)N1CCOCC1
• InChI: InChI=1S/C31H32N2O6/c1-36-29-19-22(12-13-28(29)38-21-30(34)33-15-17-37-18-16-33)7-6-14-32-31(35)39-20-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-13,19,27H,14-18,20-21H2,1H3,(H,32,35)
• InChIKey: YHDITQMOKKGWLX-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate (CID 169470723) is 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate.

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

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

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

The InChIKey is YHDITQMOKKGWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O6/c1-36-29-19-22(12-13-28(29)38-21-30(34)33-15-17-37-18-16-33)7-6-14-32-31(35)39-20-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-13,19,27H,14-18,20-21H2,1H3,(H,32,35).

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

9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate has a molecular weight of 528.61 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).