2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide

C21H26N2O4 — CID 4929692

IUPAC2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-4-19(27-18-8-6-5-7-9-18)21(25)23-22-20(24)14-26-17-12-10-16(11-13-17)15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTTGLKJYWGDOAF-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.19
Rot. Bonds8

About 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide

2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide (PubChem CID 4929692) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
PubChem CID4929692
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-4-19(27-18-8-6-5-7-9-18)21(25)23-22-20(24)14-26-17-12-10-16(11-13-17)15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTTGLKJYWGDOAF-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555599
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide?
The IUPAC name of 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide (CID 4929692) is 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide is CCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide?
The InChIKey is UTTGLKJYWGDOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-19(27-18-8-6-5-7-9-18)21(25)23-22-20(24)14-26-17-12-10-16(11-13-17)15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide?
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 4929692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).