9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate

C33H32N2O6 — CID 5056737

IUPAC9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate
SMILESCNC(=O)COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C33H32N2O6/c1-34-31(36)20-40-22-14-12-21(13-15-22)32(28-17-16-23(38-2)18-30(28)39-3)35-33(37)41-19-29-26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h4-18,29,32H,19-20H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyFMFAKXAVTXXPAA-UHFFFAOYSA-N
MW552.63 g/mol
LogP5.46
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate (PubChem CID 5056737) has the molecular formula C33H32N2O6 and a molecular weight of 552.63 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate
PubChem CID5056737
Molecular FormulaC33H32N2O6
Molecular Weight552.63 g/mol
Exact Mass552.23
IUPAC Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate
SMILESCNC(=O)COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C33H32N2O6/c1-34-31(36)20-40-22-14-12-21(13-15-22)32(28-17-16-23(38-2)18-30(28)39-3)35-33(37)41-19-29-26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h4-18,29,32H,19-20H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyFMFAKXAVTXXPAA-UHFFFAOYSA-N
XLogP5.46
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate (CID 5056737) is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate is CNC(=O)COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The InChIKey is FMFAKXAVTXXPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O6/c1-34-31(36)20-40-22-14-12-21(13-15-22)32(28-17-16-23(38-2)18-30(28)39-3)35-33(37)41-19-29-26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h4-18,29,32H,19-20H2,1-3H3,(H,34,36)(H,35,37).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate has a molecular weight of 552.63 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 5056737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).