N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide

C21H26N2O4 — CID 4960138

IUPACN'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-4-12-26-19-7-5-6-17(13-19)21(25)23-22-20(24)14-27-18-10-8-16(9-11-18)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXEOFXNRZYHOJJT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds8

About N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide

N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide (PubChem CID 4960138) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
PubChem CID4960138
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-4-12-26-19-7-5-6-17(13-19)21(25)23-22-20(24)14-27-18-10-8-16(9-11-18)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXEOFXNRZYHOJJT-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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

3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide
CID 4960426
3-(2-phenylethoxy)-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17134801
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N'-(3-ethoxypropanoyl)-3-propoxybenzohydrazide
CID 17357962
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide?
The IUPAC name of N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide (CID 4960138) is N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide is CCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide?
The InChIKey is XEOFXNRZYHOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-12-26-19-7-5-6-17(13-19)21(25)23-22-20(24)14-27-18-10-8-16(9-11-18)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide?
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide is sourced from PubChem (CID 4960138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).