N'-benzoyl-3-propoxybenzohydrazide

C17H18N2O3 — CID 4960188

IUPACN'-benzoyl-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-2-11-22-15-10-6-9-14(12-15)17(21)19-18-16(20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLGHAJWKQUAXFFE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.55
Rot. Bonds5

About N'-benzoyl-3-propoxybenzohydrazide

N'-benzoyl-3-propoxybenzohydrazide (PubChem CID 4960188) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-benzoyl-3-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-propoxybenzohydrazide
PubChem CID4960188
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-benzoyl-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-2-11-22-15-10-6-9-14(12-15)17(21)19-18-16(20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLGHAJWKQUAXFFE-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.55
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)-3-propoxybenzamide
CID 4960455
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N'-(3-ethoxypropanoyl)-3-propoxybenzohydrazide
CID 17357962
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-propoxybenzohydrazide?
The IUPAC name of N'-benzoyl-3-propoxybenzohydrazide (CID 4960188) is N'-benzoyl-3-propoxybenzohydrazide.
What is the SMILES notation for N'-benzoyl-3-propoxybenzohydrazide?
The canonical SMILES for N'-benzoyl-3-propoxybenzohydrazide is CCCOc1cccc(C(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of N'-benzoyl-3-propoxybenzohydrazide?
The InChIKey is LGHAJWKQUAXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-11-22-15-10-6-9-14(12-15)17(21)19-18-16(20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-benzoyl-3-propoxybenzohydrazide?
N'-benzoyl-3-propoxybenzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-propoxybenzohydrazide is sourced from PubChem (CID 4960188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).