(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide

C23H28N2O5 — CID 6231656

IUPAC(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28N2O5/c1-5-16(2)18-8-10-19(11-9-18)30-15-23(27)25-24-22(26)13-7-17-6-12-20(28-3)21(14-17)29-4/h6-14,16H,5,15H2,1-4H3,(H,24,26)(H,25,27)/b13-7+
InChIKeyXILQDMFRNDTFDO-NTUHNPAUSA-N
MW412.49 g/mol
LogP3.46
Rot. Bonds9

About (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide

(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide (PubChem CID 6231656) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
PubChem CID6231656
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28N2O5/c1-5-16(2)18-8-10-19(11-9-18)30-15-23(27)25-24-22(26)13-7-17-6-12-20(28-3)21(14-17)29-4/h6-14,16H,5,15H2,1-4H3,(H,24,26)(H,25,27)/b13-7+
InChIKeyXILQDMFRNDTFDO-NTUHNPAUSA-N
XLogP3.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.46
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

ethyl 4-[2-[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932704
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
(E)-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6168892
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 7368753
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide (CID 6231656) is (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is XILQDMFRNDTFDO-NTUHNPAUSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-16(2)18-8-10-19(11-9-18)30-15-23(27)25-24-22(26)13-7-17-6-12-20(28-3)21(14-17)29-4/h6-14,16H,5,15H2,1-4H3,(H,24,26)(H,25,27)/b13-7+.
What are the key properties of (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 412.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6231656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).