N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide

C22H22N2O4 — CID 4952087

IUPACN'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)22(26)24-23-21(25)14-27-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBXKBZVOVLMVTKP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds6

About N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide

N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 4952087) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
PubChem CID4952087
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)22(26)24-23-21(25)14-27-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBXKBZVOVLMVTKP-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 4509301
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
CID 4937674
3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 3108609
3-bromo-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356074
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide (CID 4952087) is N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is BXKBZVOVLMVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)22(26)24-23-21(25)14-27-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide?
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 4952087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).