N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide

C17H26N2O3 — CID 4955562

IUPACN'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-4-5-6-11-16(20)18-19-17(21)12-22-15-10-8-7-9-14(15)13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMVQJJZSAQHIZTM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds8

About N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide

N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide (PubChem CID 4955562) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
PubChem CID4955562
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-4-5-6-11-16(20)18-19-17(21)12-22-15-10-8-7-9-14(15)13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMVQJJZSAQHIZTM-UHFFFAOYSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
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',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954149
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-(pentylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188192
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide?
The IUPAC name of N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide (CID 4955562) is N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide?
The InChIKey is MVQJJZSAQHIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-6-11-16(20)18-19-17(21)12-22-15-10-8-7-9-14(15)13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide?
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide has a molecular weight of 306.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide is sourced from PubChem (CID 4955562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).