ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate

C24H22N2O8 — CID 32569142

IUPACethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1
InChIInChI=1S/C24H22N2O8/c1-3-32-23(27)15-33-20-6-4-5-16(13-20)25-24(28)21-14-17(26(29)30)7-12-22(21)34-19-10-8-18(31-2)9-11-19/h4-14H,3,15H2,1-2H3,(H,25,28)
InChIKeyFMNKAZHABDNIKL-UHFFFAOYSA-N
MW466.45 g/mol
LogP4.59
Rot. Bonds10

About ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate

ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate (PubChem CID 32569142) has the molecular formula C24H22N2O8 and a molecular weight of 466.45 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate
PubChem CID32569142
Molecular FormulaC24H22N2O8
Molecular Weight466.45 g/mol
Exact Mass466.14
IUPAC Nameethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1
InChIInChI=1S/C24H22N2O8/c1-3-32-23(27)15-33-20-6-4-5-16(13-20)25-24(28)21-14-17(26(29)30)7-12-22(21)34-19-10-8-18(31-2)9-11-19/h4-14H,3,15H2,1-2H3,(H,25,28)
InChIKeyFMNKAZHABDNIKL-UHFFFAOYSA-N
XLogP4.59
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
ethyl 2-[3-[(4-chloro-2-nitrobenzoyl)amino]phenoxy]acetate
CID 46401688
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250353
2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 43057820
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853551
2-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119434119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate (CID 32569142) is ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate?
The InChIKey is FMNKAZHABDNIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O8/c1-3-32-23(27)15-33-20-6-4-5-16(13-20)25-24(28)21-14-17(26(29)30)7-12-22(21)34-19-10-8-18(31-2)9-11-19/h4-14H,3,15H2,1-2H3,(H,25,28).
What are the key properties of ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate?
ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate has a molecular weight of 466.45 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate is sourced from PubChem (CID 32569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).