N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide

C22H28N2O4 — CID 17141455

IUPACN'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-16(4)28-20-12-8-18(9-13-20)22(26)24-23-21(25)17-6-10-19(11-7-17)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUBDFOERIZVSPGT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.97
Rot. Bonds8

About N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide

N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide (PubChem CID 17141455) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
PubChem CID17141455
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-16(4)28-20-12-8-18(9-13-20)22(26)24-23-21(25)17-6-10-19(11-7-17)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUBDFOERIZVSPGT-UHFFFAOYSA-N
XLogP3.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.97
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-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
CID 17141736

Frequently Asked Questions

What is the IUPAC name of N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide (CID 17141455) is N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide is CCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is UBDFOERIZVSPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-16(4)28-20-12-8-18(9-13-20)22(26)24-23-21(25)17-6-10-19(11-7-17)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide?
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17141455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).