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

C39H36N2O6 — CID 4992760

IUPAC9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C39H36N2O6/c1-44-29-20-21-34(36(22-29)45-2)38(27-16-18-28(19-17-27)46-25-37(42)40-23-26-10-4-3-5-11-26)41-39(43)47-24-35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h3-22,35,38H,23-25H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyQDBNGXIVXNLAGK-UHFFFAOYSA-N
MW628.73 g/mol
LogP7.03
Rot. Bonds12

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

9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 4992760) has the molecular formula C39H36N2O6 and a molecular weight of 628.73 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
PubChem CID4992760
Molecular FormulaC39H36N2O6
Molecular Weight628.73 g/mol
Exact Mass628.26
IUPAC Name9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C39H36N2O6/c1-44-29-20-21-34(36(22-29)45-2)38(27-16-18-28(19-17-27)46-25-37(42)40-23-26-10-4-3-5-11-26)41-39(43)47-24-35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h3-22,35,38H,23-25H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyQDBNGXIVXNLAGK-UHFFFAOYSA-N
XLogP7.03
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate (CID 4992760) is 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is QDBNGXIVXNLAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2O6/c1-44-29-20-21-34(36(22-29)45-2)38(27-16-18-28(19-17-27)46-25-37(42)40-23-26-10-4-3-5-11-26)41-39(43)47-24-35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h3-22,35,38H,23-25H2,1-2H3,(H,40,42)(H,41,43).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 628.73 g/mol, XLogP of 7.03, 12 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-[[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 4992760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).