(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

C22H26N2O6 — CID 7943419

IUPAC(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)COc2cc(C)ccc2C)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-14-6-7-15(2)17(10-14)30-13-21(26)24-23-20(25)9-8-16-11-18(27-3)22(29-5)19(12-16)28-4/h6-12H,13H2,1-5H3,(H,23,25)(H,24,26)/b9-8+
InChIKeyFOOYWWCJPUVJET-CMDGGOBGSA-N
MW414.46 g/mol
LogP2.57
Rot. Bonds8

About (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (PubChem CID 7943419) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
PubChem CID7943419
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)COc2cc(C)ccc2C)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-14-6-7-15(2)17(10-14)30-13-21(26)24-23-20(25)9-8-16-11-18(27-3)22(29-5)19(12-16)28-4/h6-12H,13H2,1-5H3,(H,23,25)(H,24,26)/b9-8+
InChIKeyFOOYWWCJPUVJET-CMDGGOBGSA-N
XLogP2.57
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyphenyl)prop-2-enehydrazide
CID 78771977
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(4-cyanophenoxy)acetyl]prop-2-enehydrazide
CID 9471671
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 4557651
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214279

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (CID 7943419) is (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is COc1cc(/C=C/C(=O)NNC(=O)COc2cc(C)ccc2C)cc(OC)c1OC.
What is the InChIKey of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is FOOYWWCJPUVJET-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-14-6-7-15(2)17(10-14)30-13-21(26)24-23-20(25)9-8-16-11-18(27-3)22(29-5)19(12-16)28-4/h6-12H,13H2,1-5H3,(H,23,25)(H,24,26)/b9-8+.
What are the key properties of (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 414.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 7943419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).