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

C20H22N2O4 — CID 78771977

IUPAC(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C20H22N2O4/c1-14-8-9-15(2)18(12-14)26-13-20(24)22-21-19(23)11-10-16-6-4-5-7-17(16)25-3/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyMHOYKWWIDHDSOW-ZHACJKMWSA-N
MW354.41 g/mol
LogP2.55
Rot. Bonds6

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

(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide (PubChem CID 78771977) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
PubChem CID78771977
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C20H22N2O4/c1-14-8-9-15(2)18(12-14)26-13-20(24)22-21-19(23)11-10-16-6-4-5-7-17(16)25-3/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyMHOYKWWIDHDSOW-ZHACJKMWSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.55
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)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 7943419
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N'-[2-(2-methylphenoxy)acetyl]prop-2-enehydrazide
CID 9320640
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 3326196
(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
CID 26901654
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4529406
(E)-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17344022
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 19167688

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide (CID 78771977) is (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide is COc1ccccc1/C=C/C(=O)NNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide?
The InChIKey is MHOYKWWIDHDSOW-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-8-9-15(2)18(12-14)26-13-20(24)22-21-19(23)11-10-16-6-4-5-7-17(16)25-3/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b11-10+.
What are the key properties of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide has a molecular weight of 354.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 78771977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).