N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

C19H19N3O5 — CID 42947058

IUPACN'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C19H19N3O5/c23-18(12-27-17-11-4-3-10-16(17)22(25)26)20-21-19(24)15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,20,23)(H,21,24)
InChIKeyWWIIPHLBEISGCR-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.24
Rot. Bonds5

About N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (PubChem CID 42947058) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
PubChem CID42947058
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C19H19N3O5/c23-18(12-27-17-11-4-3-10-16(17)22(25)26)20-21-19(24)15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,20,23)(H,21,24)
InChIKeyWWIIPHLBEISGCR-UHFFFAOYSA-N
XLogP2.24
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946784
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The IUPAC name of N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (CID 42947058) is N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The InChIKey is WWIIPHLBEISGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18(12-27-17-11-4-3-10-16(17)22(25)26)20-21-19(24)15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide has a molecular weight of 369.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is sourced from PubChem (CID 42947058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).