(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide

C14H20N2O3 — CID 91684434

IUPAC(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide
SMILESCCOc1cc(/C=C/C(=O)NN)ccc1OC(C)C
InChIInChI=1S/C14H20N2O3/c1-4-18-13-9-11(6-8-14(17)16-15)5-7-12(13)19-10(2)3/h5-10H,4,15H2,1-3H3,(H,16,17)/b8-6+
InChIKeyXRXKQFBJZSZYCK-SOFGYWHQSA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds6

About (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide

(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide (PubChem CID 91684434) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide
PubChem CID91684434
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide
SMILESCCOc1cc(/C=C/C(=O)NN)ccc1OC(C)C
InChIInChI=1S/C14H20N2O3/c1-4-18-13-9-11(6-8-14(17)16-15)5-7-12(13)19-10(2)3/h5-10H,4,15H2,1-3H3,(H,16,17)/b8-6+
InChIKeyXRXKQFBJZSZYCK-SOFGYWHQSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 82185610
(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-pyridin-4-ylprop-2-enamide
CID 39953641
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 82185436
4-[3,4-di(propan-2-yloxy)phenyl]but-3-en-2-one
CID 86063016
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
3-[3-bromo-4-(2-methylpropoxy)phenyl]prop-2-enehydrazide
CID 131849528

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide (CID 91684434) is (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide is CCOc1cc(/C=C/C(=O)NN)ccc1OC(C)C.
What is the InChIKey of (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide?
The InChIKey is XRXKQFBJZSZYCK-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-18-13-9-11(6-8-14(17)16-15)5-7-12(13)19-10(2)3/h5-10H,4,15H2,1-3H3,(H,16,17)/b8-6+.
What are the key properties of (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide?
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 91684434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).