9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate

C30H27NO4 — CID 141038963

IUPAC9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
SMILESCOc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2)c(OC)c1
InChIInChI=1S/C30H27NO4/c1-33-21-16-17-27(28(18-21)34-2)30(31,20-10-4-3-5-11-20)29(32)35-19-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-18,26H,19,31H2,1-2H3
InChIKeyXXEHHYKRNBJSKN-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.26
Rot. Bonds7

About 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate

9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate (PubChem CID 141038963) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
PubChem CID141038963
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
SMILESCOc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2)c(OC)c1
InChIInChI=1S/C30H27NO4/c1-33-21-16-17-27(28(18-21)34-2)30(31,20-10-4-3-5-11-20)29(32)35-19-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-18,26H,19,31H2,1-2H3
InChIKeyXXEHHYKRNBJSKN-UHFFFAOYSA-N
XLogP5.26
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2,4-dimethoxyphenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-phenoxybutanoic acid
CID 154349552
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
3-(2,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 171703060
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
CID 91382042
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 163335635
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,4,6-trimethoxyphenyl)propanoic acid
CID 170881733

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate (CID 141038963) is 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate is COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2)c(OC)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate?
The InChIKey is XXEHHYKRNBJSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-33-21-16-17-27(28(18-21)34-2)30(31,20-10-4-3-5-11-20)29(32)35-19-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-18,26H,19,31H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate?
9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate has a molecular weight of 465.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate is sourced from PubChem (CID 141038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).