methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate

C24H19NO5 — CID 55916624

IUPACmethyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(C)c1
InChIInChI=1S/C24H19NO5/c1-14-11-16(30-13-22(26)29-2)8-10-21(14)25-24(28)15-7-9-18-17-5-3-4-6-19(17)23(27)20(18)12-15/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyVYRTUGZFKAYARK-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.01
Rot. Bonds5

About methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate

methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate (PubChem CID 55916624) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
PubChem CID55916624
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Namemethyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(C)c1
InChIInChI=1S/C24H19NO5/c1-14-11-16(30-13-22(26)29-2)8-10-21(14)25-24(28)15-7-9-18-17-5-3-4-6-19(17)23(27)20(18)12-15/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyVYRTUGZFKAYARK-UHFFFAOYSA-N
XLogP4.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
CID 55916883
methyl 2-[4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylphenoxy]acetate
CID 55916102
methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate
CID 55915344
ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate
CID 87043179
methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate
CID 740385
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate (CID 55916624) is methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is VYRTUGZFKAYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-14-11-16(30-13-22(26)29-2)8-10-21(14)25-24(28)15-7-9-18-17-5-3-4-6-19(17)23(27)20(18)12-15/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 401.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 55916624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).