[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate

C16H14N2O6 — CID 17341790

IUPAC[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H14N2O6/c1-11(19)24-15-4-2-3-12(9-15)17-16(20)10-23-14-7-5-13(6-8-14)18(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyUCBAJMNGJWIHNA-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.54
Rot. Bonds6

About [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate

[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate (PubChem CID 17341790) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
PubChem CID17341790
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H14N2O6/c1-11(19)24-15-4-2-3-12(9-15)17-16(20)10-23-14-7-5-13(6-8-14)18(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyUCBAJMNGJWIHNA-UHFFFAOYSA-N
XLogP2.54
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086678
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate?
The IUPAC name of [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate (CID 17341790) is [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate.
What is the SMILES notation for [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate?
The canonical SMILES for [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate?
The InChIKey is UCBAJMNGJWIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-11(19)24-15-4-2-3-12(9-15)17-16(20)10-23-14-7-5-13(6-8-14)18(21)22/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate?
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate has a molecular weight of 330.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate is sourced from PubChem (CID 17341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).