4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide

C21H26N2O3 — CID 55792697

IUPAC4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-16-9-11-17(12-10-16)21(25)23-22-20(24)15(4)26-19-8-6-7-18(13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVDXPUGNKHWQPAO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.60
Rot. Bonds6

About 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide

4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide (PubChem CID 55792697) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
PubChem CID55792697
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-16-9-11-17(12-10-16)21(25)23-22-20(24)15(4)26-19-8-6-7-18(13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVDXPUGNKHWQPAO-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.60
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'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
4-ethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792665
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide (CID 55792697) is 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The InChIKey is VDXPUGNKHWQPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-16-9-11-17(12-10-16)21(25)23-22-20(24)15(4)26-19-8-6-7-18(13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 55792697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).