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

C18H28N2O3 — CID 4955561

IUPACN'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccccc1C(C)CC
InChIInChI=1S/C18H28N2O3/c1-4-6-7-12-17(21)19-20-18(22)13-23-16-11-9-8-10-15(16)14(3)5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNHBHCKOKFRWIKD-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.31
Rot. Bonds9

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

N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide (PubChem CID 4955561) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
PubChem CID4955561
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccccc1C(C)CC
InChIInChI=1S/C18H28N2O3/c1-4-6-7-12-17(21)19-20-18(22)13-23-16-11-9-8-10-15(16)14(3)5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNHBHCKOKFRWIKD-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.31
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

N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954149
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide (CID 4955561) is N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1ccccc1C(C)CC.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide?
The InChIKey is NHBHCKOKFRWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-6-7-12-17(21)19-20-18(22)13-23-16-11-9-8-10-15(16)14(3)5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide?
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide has a molecular weight of 320.43 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide is sourced from PubChem (CID 4955561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).