N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide

C25H34N2O6 — CID 55486518

IUPACN'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2ccccc2C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O6/c1-6-17(5)19-12-10-11-13-20(19)33-16-23(28)26-27-25(29)18-14-21(30-7-2)24(32-9-4)22(15-18)31-8-3/h10-15,17H,6-9,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyHIVUGJJPZQEGPO-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.24
Rot. Bonds12

About N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide

N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide (PubChem CID 55486518) has the molecular formula C25H34N2O6 and a molecular weight of 458.56 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
PubChem CID55486518
Molecular FormulaC25H34N2O6
Molecular Weight458.56 g/mol
Exact Mass458.24
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2ccccc2C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O6/c1-6-17(5)19-12-10-11-13-20(19)33-16-23(28)26-27-25(29)18-14-21(30-7-2)24(32-9-4)22(15-18)31-8-3/h10-15,17H,6-9,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyHIVUGJJPZQEGPO-UHFFFAOYSA-N
XLogP4.24
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
3-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 55486046
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 18159261
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide (CID 55486518) is N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)COc2ccccc2C(C)CC)cc(OCC)c1OCC.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide?
The InChIKey is HIVUGJJPZQEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O6/c1-6-17(5)19-12-10-11-13-20(19)33-16-23(28)26-27-25(29)18-14-21(30-7-2)24(32-9-4)22(15-18)31-8-3/h10-15,17H,6-9,16H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide?
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide has a molecular weight of 458.56 g/mol, XLogP of 4.24, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 55486518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).