N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide

C18H28N2O3 — CID 46423863

IUPACN'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)11-16(21)19-20-17(22)13(3)23-15-9-7-14(8-10-15)18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyRTXZDBGPIVFDIQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.94
Rot. Bonds5

About N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide

N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide (PubChem CID 46423863) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
PubChem CID46423863
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)11-16(21)19-20-17(22)13(3)23-15-9-7-14(8-10-15)18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyRTXZDBGPIVFDIQ-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.94
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

2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
1-[2-(4-tert-butylphenoxy)propanoylamino]-3-methylthiourea
CID 4502854
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 4943032
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984621
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41273245
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide (CID 46423863) is N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide is CC(C)CC(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide?
The InChIKey is RTXZDBGPIVFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)11-16(21)19-20-17(22)13(3)23-15-9-7-14(8-10-15)18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide?
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide has a molecular weight of 320.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide is sourced from PubChem (CID 46423863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).