2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide

C20H21N3O4 — CID 2847875

IUPAC2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)21-22-20(24)13-27-19-9-5-4-8-18(19)23(25)26/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,22,24)
InChIKeyGFAIYKVYLBTJEY-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide

2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide (PubChem CID 2847875) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
PubChem CID2847875
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)21-22-20(24)13-27-19-9-5-4-8-18(19)23(25)26/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,22,24)
InChIKeyGFAIYKVYLBTJEY-UHFFFAOYSA-N
XLogP3.39
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.39
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)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726598
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7761399
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 135811597
N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466889

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide (CID 2847875) is 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The InChIKey is GFAIYKVYLBTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)21-22-20(24)13-27-19-9-5-4-8-18(19)23(25)26/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,22,24).
What are the key properties of 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 2847875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).