2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate

C28H29NO6 — CID 158776823

IUPAC2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate
SMILESCOCCOCCOC(=O)Cc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(OC)c3)cc1-2
InChIInChI=1S/C28H29NO6/c1-32-8-9-34-10-11-35-27(30)13-18-6-7-23-21(12-18)17-25-24(23)15-20(16-26(25)28(29)31)19-4-3-5-22(14-19)33-2/h3-7,12,14-16H,8-11,13,17H2,1-2H3,(H2,29,31)
InChIKeyIQOMXKFSVFHFJO-UHFFFAOYSA-N
MW475.54 g/mol
LogP3.78
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate

2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate (PubChem CID 158776823) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate
PubChem CID158776823
Molecular FormulaC28H29NO6
Molecular Weight475.54 g/mol
Exact Mass475.20
IUPAC Name2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate
SMILESCOCCOCCOC(=O)Cc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(OC)c3)cc1-2
InChIInChI=1S/C28H29NO6/c1-32-8-9-34-10-11-35-27(30)13-18-6-7-23-21(12-18)17-25-24(23)15-20(16-26(25)28(29)31)19-4-3-5-22(14-19)33-2/h3-7,12,14-16H,8-11,13,17H2,1-2H3,(H2,29,31)
InChIKeyIQOMXKFSVFHFJO-UHFFFAOYSA-N
XLogP3.78
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
CID 160601958
8-(3-methoxyphenyl)-5H-indeno[1,2-b]pyridine-6-carboxamide
CID 160526281
7-[(3R)-3-hydroxypiperidine-1-carbonyl]-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 159726035
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 157375270
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
3-bromo-5-(3-methoxyphenyl)benzamide
CID 170460020
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 55314701
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate (CID 158776823) is 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate is COCCOCCOC(=O)Cc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(OC)c3)cc1-2.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate?
The InChIKey is IQOMXKFSVFHFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c1-32-8-9-34-10-11-35-27(30)13-18-6-7-23-21(12-18)17-25-24(23)15-20(16-26(25)28(29)31)19-4-3-5-22(14-19)33-2/h3-7,12,14-16H,8-11,13,17H2,1-2H3,(H2,29,31).
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate?
2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate has a molecular weight of 475.54 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate is sourced from PubChem (CID 158776823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).