4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide

C19H22N2O3 — CID 17141392

IUPAC4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-14(2)24-17-11-9-16(10-12-17)19(23)21-20-18(22)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPYTJRZCBFXDPKB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.87
Rot. Bonds6

About 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide

4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 17141392) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
PubChem CID17141392
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-14(2)24-17-11-9-16(10-12-17)19(23)21-20-18(22)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPYTJRZCBFXDPKB-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.87
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

N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
CID 17141736
4-butan-2-yloxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17141775
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
3-butan-2-yloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 17150207
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367835
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
4-butan-2-yloxybenzoic acid
CID 5132695
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide (CID 17141392) is 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide is CCC(C)Oc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is PYTJRZCBFXDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-14(2)24-17-11-9-16(10-12-17)19(23)21-20-18(22)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide?
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 17141392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).