[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate

C23H21NO5 — CID 8879306

IUPAC[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21NO5/c1-27-20-12-5-6-13-21(20)28-16-22(25)29-19-11-7-10-18(14-19)23(26)24-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyWPXKWNVNOJMRMF-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.61
Rot. Bonds8

About [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate

[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 8879306) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
PubChem CID8879306
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21NO5/c1-27-20-12-5-6-13-21(20)28-16-22(25)29-19-11-7-10-18(14-19)23(26)24-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyWPXKWNVNOJMRMF-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663
[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929200
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347

Frequently Asked Questions

What is the IUPAC name of [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate (CID 8879306) is [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)Oc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is WPXKWNVNOJMRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-20-12-5-6-13-21(20)28-16-22(25)29-19-11-7-10-18(14-19)23(26)24-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate?
[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 391.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8879306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).