2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide

C23H28N2O5 — CID 43011951

IUPAC2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide
SMILESCCOc1cc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OC
InChIInChI=1S/C23H28N2O5/c1-6-29-21-14-18(10-12-20(21)28-5)11-13-22(26)24-25-23(27)17(4)30-19-9-7-8-15(2)16(19)3/h7-14,17H,6H2,1-5H3,(H,24,26)(H,25,27)/b13-11+
InChIKeyQVMOROISQIOBFY-ACCUITESSA-N
MW412.49 g/mol
LogP3.34
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide

2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide (PubChem CID 43011951) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide
PubChem CID43011951
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide
SMILESCCOc1cc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OC
InChIInChI=1S/C23H28N2O5/c1-6-29-21-14-18(10-12-20(21)28-5)11-13-22(26)24-25-23(27)17(4)30-19-9-7-8-15(2)16(19)3/h7-14,17H,6H2,1-5H3,(H,24,26)(H,25,27)/b13-11+
InChIKeyQVMOROISQIOBFY-ACCUITESSA-N
XLogP3.34
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.34
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

(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
N-cyclopropyl-4-[(E)-3-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-oxoprop-1-enyl]benzenesulfonamide
CID 55689685
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 55594874
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
(2S)-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343247

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide (CID 43011951) is 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide is CCOc1cc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OC.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is QVMOROISQIOBFY-ACCUITESSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-6-29-21-14-18(10-12-20(21)28-5)11-13-22(26)24-25-23(27)17(4)30-19-9-7-8-15(2)16(19)3/h7-14,17H,6H2,1-5H3,(H,24,26)(H,25,27)/b13-11+.
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide has a molecular weight of 412.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 43011951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).