2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide

C17H16N2O5 — CID 17086678

IUPAC2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H16N2O5/c1-2-10-23-16-5-3-4-13(11-16)18-17(20)12-24-15-8-6-14(7-9-15)19(21)22/h2-9,11H,1,10,12H2,(H,18,20)
InChIKeyJZPZROBWLRSQLA-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.18
Rot. Bonds8

About 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide

2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide (PubChem CID 17086678) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
PubChem CID17086678
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H16N2O5/c1-2-10-23-16-5-3-4-13(11-16)18-17(20)12-24-15-8-6-14(7-9-15)19(21)22/h2-9,11H,1,10,12H2,(H,18,20)
InChIKeyJZPZROBWLRSQLA-UHFFFAOYSA-N
XLogP3.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide (CID 17086678) is 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide is C=CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The InChIKey is JZPZROBWLRSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-10-23-16-5-3-4-13(11-16)18-17(20)12-24-15-8-6-14(7-9-15)19(21)22/h2-9,11H,1,10,12H2,(H,18,20).
What are the key properties of 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide has a molecular weight of 328.32 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 17086678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).