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

C34H34N2O6 — CID 58904346

IUPAC9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
SMILESCCNC(=O)COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C34H34N2O6/c1-4-35-32(37)21-41-23-15-13-22(14-16-23)33(29-18-17-24(39-2)19-31(29)40-3)36-34(38)42-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-19,30,33H,4,20-21H2,1-3H3,(H,35,37)(H,36,38)
InChIKeyFWADAAGLUNCOPD-UHFFFAOYSA-N
MW566.65 g/mol
LogP5.85
Rot. Bonds11

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

9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate (PubChem CID 58904346) has the molecular formula C34H34N2O6 and a molecular weight of 566.65 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
PubChem CID58904346
Molecular FormulaC34H34N2O6
Molecular Weight566.65 g/mol
Exact Mass566.24
IUPAC Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
SMILESCCNC(=O)COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C34H34N2O6/c1-4-35-32(37)21-41-23-15-13-22(14-16-23)33(29-18-17-24(39-2)19-31(29)40-3)36-34(38)42-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-19,30,33H,4,20-21H2,1-3H3,(H,35,37)(H,36,38)
InChIKeyFWADAAGLUNCOPD-UHFFFAOYSA-N
XLogP5.85
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.65
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1-Fluorenyl-methoxycarbonyl)-(4-((2,4-dimethoxyphenyl)amino)phenoxy)acetic acid
CID 2761459
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CID 130773
US9872852, Example 170
CID 121452793
N-[2-[[4-[(2-methoxy-3-phenylphenyl)methoxy]-2-[(3-methylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
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N-Fluorenylmethyloxycarbonyl-((carboxyethyl-2,4-dimethoxyphenyl)-4'-methoxyphenyl)methylamine
CID 130201
N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]amino]ethyl]acetamide
CID 135368600
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]carbamate
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CID 4388602
N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-[(2,4,6-trimethoxyphenyl)methyl]-L-glutamine
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(9H-Fluoren-9-yl)methyl (3-hydroxy-9H-xanthen-9-yl)carbamate
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(9H-Fluoren-9-yl)methyl ((2,4-dimethoxyphenyl)(4-hydroxyphenyl)methyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate (CID 58904346) is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate is CCNC(=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-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
The InChIKey is FWADAAGLUNCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O6/c1-4-35-32(37)21-41-23-15-13-22(14-16-23)33(29-18-17-24(39-2)19-31(29)40-3)36-34(38)42-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-19,30,33H,4,20-21H2,1-3H3,(H,35,37)(H,36,38).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate has a molecular weight of 566.65 g/mol, XLogP of 5.85, 11 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-(ethylamino)-2-oxoethoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 58904346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).