(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide

C21H24N2O5 — CID 19167688

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-14-9-15(2)11-18(10-14)28-13-21(25)23-22-20(24)8-5-16-12-17(26-3)6-7-19(16)27-4/h5-12H,13H2,1-4H3,(H,22,24)(H,23,25)/b8-5+
InChIKeyNJRYTLPBSLTKLU-VMPITWQZSA-N
MW384.43 g/mol
LogP2.56
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide

(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 19167688) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID19167688
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-14-9-15(2)11-18(10-14)28-13-21(25)23-22-20(24)8-5-16-12-17(26-3)6-7-19(16)27-4/h5-12H,13H2,1-4H3,(H,22,24)(H,23,25)/b8-5+
InChIKeyNJRYTLPBSLTKLU-VMPITWQZSA-N
XLogP2.56
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4529406
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
(E)-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6132229
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 78771977
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
(E)-3-(2,5-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495704
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343921
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
N-[4-[(E)-3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 35801423
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
CID 47102488

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide (CID 19167688) is (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide is COc1ccc(OC)c(/C=C/C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is NJRYTLPBSLTKLU-VMPITWQZSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-9-15(2)11-18(10-14)28-13-21(25)23-22-20(24)8-5-16-12-17(26-3)6-7-19(16)27-4/h5-12H,13H2,1-4H3,(H,22,24)(H,23,25)/b8-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 384.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 19167688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).