N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide

C17H18N2O3 — CID 11369992

IUPACN'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-11(2)12-3-5-13(6-4-12)16(21)18-19-17(22)14-7-9-15(20)10-8-14/h3-11,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNUQQYIOONPKCBE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.59
Rot. Bonds3

About N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide

N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide (PubChem CID 11369992) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide
PubChem CID11369992
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-11(2)12-3-5-13(6-4-12)16(21)18-19-17(22)14-7-9-15(20)10-8-14/h3-11,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNUQQYIOONPKCBE-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide?
The IUPAC name of N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide (CID 11369992) is N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide is CC(C)c1ccc(C(=O)NNC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide?
The InChIKey is NUQQYIOONPKCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(2)12-3-5-13(6-4-12)16(21)18-19-17(22)14-7-9-15(20)10-8-14/h3-11,20H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide?
N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxybenzoyl)-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 11369992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).