2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide

C17H16N2O4 — CID 78812401

IUPAC2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-2-12-18(14-8-4-3-5-9-14)17(20)13-23-16-11-7-6-10-15(16)19(21)22/h2-11H,1,12-13H2
InChIKeyJDYXIBOXFHMWIC-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.19
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide

2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide (PubChem CID 78812401) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
PubChem CID78812401
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-2-12-18(14-8-4-3-5-9-14)17(20)13-23-16-11-7-6-10-15(16)19(21)22/h2-11H,1,12-13H2
InChIKeyJDYXIBOXFHMWIC-UHFFFAOYSA-N
XLogP3.19
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-naphthalen-1-yloxy-N-phenyl-N-prop-2-enylacetamide
CID 112795612
2-nitro-N-phenyl-N-prop-2-enylbenzamide
CID 11482940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 39708384
N-(cyanomethyl)-2-(4-methyl-2-nitrophenoxy)-N-phenylacetamide
CID 8564308
2-nitro-N-phenyl-N-prop-2-enylaniline
CID 10967040
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-phenyl-N-prop-2-enylacetamide
CID 55608691
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
3-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-4-nitrobenzoate
CID 9118651
triphenylstannyl 2-(2-nitrophenoxy)acetate
CID 16706573
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765507

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide (CID 78812401) is 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is JDYXIBOXFHMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-12-18(14-8-4-3-5-9-14)17(20)13-23-16-11-7-6-10-15(16)19(21)22/h2-11H,1,12-13H2.
What are the key properties of 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide?
2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 312.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 78812401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).