N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide

C20H24N2O4 — CID 4931745

IUPACN'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-14-25-18-13-9-8-12-16(18)19(23)21-22-20(24)17(4-2)26-15-10-6-5-7-11-15/h5-13,17H,3-4,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQUIIWKLGTPDAFV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.09
Rot. Bonds8

About N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide

N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide (PubChem CID 4931745) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
PubChem CID4931745
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-14-25-18-13-9-8-12-16(18)19(23)21-22-20(24)17(4-2)26-15-10-6-5-7-11-15/h5-13,17H,3-4,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQUIIWKLGTPDAFV-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
CID 4953512
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073460
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
CID 17150849
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
N-butan-2-yl-2-propoxybenzamide
CID 71581291
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide?
The IUPAC name of N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide (CID 4931745) is N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide?
The canonical SMILES for N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide?
The InChIKey is QUIIWKLGTPDAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-14-25-18-13-9-8-12-16(18)19(23)21-22-20(24)17(4-2)26-15-10-6-5-7-11-15/h5-13,17H,3-4,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide?
N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 4931745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).