2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate

C19H20N2O7 — CID 9269466

IUPAC2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N2O7/c1-2-26-16-6-8-17(9-7-16)27-10-11-28-18(22)13-20-19(23)14-4-3-5-15(12-14)21(24)25/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)
InChIKeySCURQPPAMLMPAN-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.35
Rot. Bonds10

About 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate

2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate (PubChem CID 9269466) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
PubChem CID9269466
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N2O7/c1-2-26-16-6-8-17(9-7-16)27-10-11-28-18(22)13-20-19(23)14-4-3-5-15(12-14)21(24)25/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)
InChIKeySCURQPPAMLMPAN-UHFFFAOYSA-N
XLogP2.35
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 30046757
3-nitro-N-[(4-propoxyphenyl)methyl]benzamide
CID 71822488
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
(4-methylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269465
(2,3,4,5,6-pentafluorophenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269769
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 35835271
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269573
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843444
3-nitro-N-(4-pentoxyphenyl)benzamide
CID 2281129

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate (CID 9269466) is 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate is CCOc1ccc(OCCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate?
The InChIKey is SCURQPPAMLMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-2-26-16-6-8-17(9-7-16)27-10-11-28-18(22)13-20-19(23)14-4-3-5-15(12-14)21(24)25/h3-9,12H,2,10-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate?
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate has a molecular weight of 388.38 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 9269466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).