N-pentanoyl-2-phenoxybenzohydrazide

C18H20N2O3 — CID 70179060

IUPACN-pentanoyl-2-phenoxybenzohydrazide
SMILESCCCCC(=O)N(N)C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-3-13-17(21)20(19)18(22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,2-3,13,19H2,1H3
InChIKeyRFQYITWPGJCZTK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.51
Rot. Bonds6

About N-pentanoyl-2-phenoxybenzohydrazide

N-pentanoyl-2-phenoxybenzohydrazide (PubChem CID 70179060) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-pentanoyl-2-phenoxybenzohydrazide.

Molecular Properties

Compound NameN-pentanoyl-2-phenoxybenzohydrazide
PubChem CID70179060
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-pentanoyl-2-phenoxybenzohydrazide
SMILESCCCCC(=O)N(N)C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-3-13-17(21)20(19)18(22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,2-3,13,19H2,1H3
InChIKeyRFQYITWPGJCZTK-UHFFFAOYSA-N
XLogP3.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N-amino-N-(2-ethoxybenzoyl)butanimidamide
CID 91068067
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
2-ethoxyimino-2-(2-phenoxyphenyl)acetamide
CID 73413307
4-oxo-4-(2-phenoxyphenyl)butanoic acid
CID 11536339
N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide
CID 174425876
N-hydroxy-N-phenylpentanamide
CID 13199036
2-(4-phenoxyphenoxy)benzoate
CID 6946814
2-pentoxy-3-phenoxybenzenecarboximidamide
CID 154301739
dioctyl benzene-1,2-dicarboxylate;phenoxybenzene
CID 158493945
N-octan-2-yl-2-phenoxybenzamide
CID 4673195

Frequently Asked Questions

What is the IUPAC name of N-pentanoyl-2-phenoxybenzohydrazide?
The IUPAC name of N-pentanoyl-2-phenoxybenzohydrazide (CID 70179060) is N-pentanoyl-2-phenoxybenzohydrazide.
What is the SMILES notation for N-pentanoyl-2-phenoxybenzohydrazide?
The canonical SMILES for N-pentanoyl-2-phenoxybenzohydrazide is CCCCC(=O)N(N)C(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-pentanoyl-2-phenoxybenzohydrazide?
The InChIKey is RFQYITWPGJCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-13-17(21)20(19)18(22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,2-3,13,19H2,1H3.
What are the key properties of N-pentanoyl-2-phenoxybenzohydrazide?
N-pentanoyl-2-phenoxybenzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentanoyl-2-phenoxybenzohydrazide is sourced from PubChem (CID 70179060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).