2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide

C17H17N3O4 — CID 7720091

IUPAC2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
SMILESC[C@@H](/C=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-13(14-7-3-2-4-8-14)11-18-19-17(21)12-24-16-10-6-5-9-15(16)20(22)23/h2-11,13H,12H2,1H3,(H,19,21)/b18-11-/t13-/m0/s1
InChIKeyOXOBWEFIEPZCGN-FHNWIRHTSA-N
MW327.34 g/mol
LogP2.88
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide

2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide (PubChem CID 7720091) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
PubChem CID7720091
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
SMILESC[C@@H](/C=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-13(14-7-3-2-4-8-14)11-18-19-17(21)12-24-16-10-6-5-9-15(16)20(22)23/h2-11,13H,12H2,1H3,(H,19,21)/b18-11-/t13-/m0/s1
InChIKeyOXOBWEFIEPZCGN-FHNWIRHTSA-N
XLogP2.88
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
N-[(Z)-[(E)-2-methyl-3-[4-[(Z,3E)-2-methyl-3-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]prop-1-enyl]phenyl]prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 21234184
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2,6-dimethylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 71950765
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide (CID 7720091) is 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide is C[C@@H](/C=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The InChIKey is OXOBWEFIEPZCGN-FHNWIRHTSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-13(14-7-3-2-4-8-14)11-18-19-17(21)12-24-16-10-6-5-9-15(16)20(22)23/h2-11,13H,12H2,1H3,(H,19,21)/b18-11-/t13-/m0/s1.
What are the key properties of 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide is sourced from PubChem (CID 7720091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).