[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate

C23H21NO5 — CID 7703196

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO5/c1-27-21-9-5-8-18(14-21)23(26)29-16-22(25)24-19-10-12-20(13-11-19)28-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyCCZZMILCVRZPAQ-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.07
Rot. Bonds8

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate (PubChem CID 7703196) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
PubChem CID7703196
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO5/c1-27-21-9-5-8-18(14-21)23(26)29-16-22(25)24-19-10-12-20(13-11-19)28-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyCCZZMILCVRZPAQ-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-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240119
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239796
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate (CID 7703196) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate?
The InChIKey is CCZZMILCVRZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-21-9-5-8-18(14-21)23(26)29-16-22(25)24-19-10-12-20(13-11-19)28-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate 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-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate is sourced from PubChem (CID 7703196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).