N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide

C21H26N2O4 — CID 4953512

IUPACN'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(CC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15(3)27-17-12-10-16(5-2)11-13-17/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFWSQTSHASBPYFL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.27
Rot. Bonds8

About N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide

N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide (PubChem CID 4953512) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
PubChem CID4953512
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(CC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15(3)27-17-12-10-16(5-2)11-13-17/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFWSQTSHASBPYFL-UHFFFAOYSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.27
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-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
CID 17169415
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
CID 4931745
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide (CID 4953512) is N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(CC)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide?
The InChIKey is FWSQTSHASBPYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15(3)27-17-12-10-16(5-2)11-13-17/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide?
N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide is sourced from PubChem (CID 4953512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).