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

C32H31NO5 — CID 2734067

IUPAC9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate
SMILESCCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H31NO5/c1-4-37-22-15-13-21(14-16-22)31(28-18-17-23(35-2)19-30(28)36-3)33-32(34)38-20-29-26-11-7-5-9-24(26)25-10-6-8-12-27(25)29/h5-19,29,31H,4,20H2,1-3H3,(H,33,34)
InChIKeyVJILQCVQVARWSA-UHFFFAOYSA-N
MW509.60 g/mol
LogP6.73
Rot. Bonds9

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

9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate (PubChem CID 2734067) has the molecular formula C32H31NO5 and a molecular weight of 509.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate
PubChem CID2734067
Molecular FormulaC32H31NO5
Molecular Weight509.60 g/mol
Exact Mass509.22
IUPAC Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate
SMILESCCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H31NO5/c1-4-37-22-15-13-21(14-16-22)31(28-18-17-23(35-2)19-30(28)36-3)33-32(34)38-20-29-26-11-7-5-9-24(26)25-10-6-8-12-27(25)29/h5-19,29,31H,4,20H2,1-3H3,(H,33,34)
InChIKeyVJILQCVQVARWSA-UHFFFAOYSA-N
XLogP6.73
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate (CID 2734067) is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate is CCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate?
The InChIKey is VJILQCVQVARWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO5/c1-4-37-22-15-13-21(14-16-22)31(28-18-17-23(35-2)19-30(28)36-3)33-32(34)38-20-29-26-11-7-5-9-24(26)25-10-6-8-12-27(25)29/h5-19,29,31H,4,20H2,1-3H3,(H,33,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate has a molecular weight of 509.60 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 2734067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).