(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate

C23H21NO5 — CID 7196850

IUPAC(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-21-14-18(12-13-20(21)28-15-17-8-4-2-5-9-17)23(26)29-16-22(25)24-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyCNUSXPRKUABFCA-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.07
Rot. Bonds8

About (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate

(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 7196850) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
PubChem CID7196850
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21NO5/c1-27-21-14-18(12-13-20(21)28-15-17-8-4-2-5-9-17)23(26)29-16-22(25)24-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyCNUSXPRKUABFCA-UHFFFAOYSA-N
XLogP4.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964839
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964833
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960602
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 26829936
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate (CID 7196850) is (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is CNUSXPRKUABFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-21-14-18(12-13-20(21)28-15-17-8-4-2-5-9-17)23(26)29-16-22(25)24-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate?
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 7196850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).