N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide

C19H30N2O3 — CID 17093425

IUPACN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C19H30N2O3/c1-5-7-8-9-17(22)20-21-18(23)14-24-16-12-10-15(11-13-16)19(3,4)6-2/h10-13H,5-9,14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIMZWKPAWIMJEHA-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.48
Rot. Bonds9

About N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide

N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide (PubChem CID 17093425) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
PubChem CID17093425
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C19H30N2O3/c1-5-7-8-9-17(22)20-21-18(23)14-24-16-12-10-15(11-13-16)19(3,4)6-2/h10-13H,5-9,14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIMZWKPAWIMJEHA-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide?
The IUPAC name of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide (CID 17093425) is N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide?
The InChIKey is IMZWKPAWIMJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-7-8-9-17(22)20-21-18(23)14-24-16-12-10-15(11-13-16)19(3,4)6-2/h10-13H,5-9,14H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide?
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide has a molecular weight of 334.46 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide is sourced from PubChem (CID 17093425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).