N'-(2-phenylacetyl)-4-propoxybenzohydrazide

C18H20N2O3 — CID 4938615

IUPACN'-(2-phenylacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)18(22)20-19-17(21)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyUEYDMWQWXBHDNK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.48
Rot. Bonds6

About N'-(2-phenylacetyl)-4-propoxybenzohydrazide

N'-(2-phenylacetyl)-4-propoxybenzohydrazide (PubChem CID 4938615) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(2-phenylacetyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-phenylacetyl)-4-propoxybenzohydrazide
PubChem CID4938615
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-(2-phenylacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)18(22)20-19-17(21)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyUEYDMWQWXBHDNK-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.48
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

4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylacetyl)-4-propoxybenzohydrazide?
The IUPAC name of N'-(2-phenylacetyl)-4-propoxybenzohydrazide (CID 4938615) is N'-(2-phenylacetyl)-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)-4-propoxybenzohydrazide?
The canonical SMILES for N'-(2-phenylacetyl)-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N'-(2-phenylacetyl)-4-propoxybenzohydrazide?
The InChIKey is UEYDMWQWXBHDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)18(22)20-19-17(21)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-phenylacetyl)-4-propoxybenzohydrazide?
N'-(2-phenylacetyl)-4-propoxybenzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 4938615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).