(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide

C22H26N2O4 — CID 17227225

IUPAC(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H26N2O4/c1-4-27-18-12-9-17(10-13-18)11-14-21(25)23-24-22(26)15-28-20-8-6-5-7-19(20)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,23,25)(H,24,26)/b14-11+
InChIKeyJYJWPAWCFZMRKR-SDNWHVSQSA-N
MW382.46 g/mol
LogP3.45
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide

(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 17227225) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID17227225
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H26N2O4/c1-4-27-18-12-9-17(10-13-18)11-14-21(25)23-24-22(26)15-28-20-8-6-5-7-19(20)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,23,25)(H,24,26)/b14-11+
InChIKeyJYJWPAWCFZMRKR-SDNWHVSQSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
(E)-3-(4-ethoxyphenyl)-N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 17227664
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
(E)-3-(3-nitrophenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17176076
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
ethyl 4-[2-[2-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17227305
(E)-3-(4-ethoxyphenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
CID 17227671
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
(E)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282
3-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20988505
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide (CID 17227225) is (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide is CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is JYJWPAWCFZMRKR-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-27-18-12-9-17(10-13-18)11-14-21(25)23-24-22(26)15-28-20-8-6-5-7-19(20)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,23,25)(H,24,26)/b14-11+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 382.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 17227225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).