N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide

C22H26N2O6 — CID 55343921

IUPACN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O6/c1-5-29-17-7-9-18(10-8-17)30-15(2)22(26)24-23-21(25)13-6-16-14-19(27-3)11-12-20(16)28-4/h6-15H,5H2,1-4H3,(H,23,25)(H,24,26)/b13-6+
InChIKeyMSCBKULQFSBELV-AWNIVKPZSA-N
MW414.46 g/mol
LogP2.73
Rot. Bonds9

About N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide

N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 55343921) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID55343921
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O6/c1-5-29-17-7-9-18(10-8-17)30-15(2)22(26)24-23-21(25)13-6-16-14-19(27-3)11-12-20(16)28-4/h6-15H,5H2,1-4H3,(H,23,25)(H,24,26)/b13-6+
InChIKeyMSCBKULQFSBELV-AWNIVKPZSA-N
XLogP2.73
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.73
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

(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111
N'-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55344133
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55463768
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
CID 9428471
(2S)-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343247
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343881
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide (CID 55343921) is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is MSCBKULQFSBELV-AWNIVKPZSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-29-17-7-9-18(10-8-17)30-15(2)22(26)24-23-21(25)13-6-16-14-19(27-3)11-12-20(16)28-4/h6-15H,5H2,1-4H3,(H,23,25)(H,24,26)/b13-6+.
What are the key properties of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 414.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 55343921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).