N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide

C18H20N2O3 — CID 922574

IUPACN'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(2)15-10-6-7-11-16(15)23-12-17(21)19-20-18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRQOOXWVJLKBABX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds5

About N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide

N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 922574) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID922574
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(2)15-10-6-7-11-16(15)23-12-17(21)19-20-18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRQOOXWVJLKBABX-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903726
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 922574) is N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is RQOOXWVJLKBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)15-10-6-7-11-16(15)23-12-17(21)19-20-18(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).