3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide

C14H18N2O3 — CID 17357847

IUPAC3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-19-11-10-14(18)16-15-13(17)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17)(H,16,18)/b9-8+
InChIKeyDECXXIGCBNZZSB-CMDGGOBGSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds6

About 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide

3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide (PubChem CID 17357847) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
PubChem CID17357847
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-19-11-10-14(18)16-15-13(17)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17)(H,16,18)/b9-8+
InChIKeyDECXXIGCBNZZSB-CMDGGOBGSA-N
XLogP1.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(E)-N-[(3-ethoxypropanoylamino)carbamothioyl]-3-phenylprop-2-enamide
CID 17357991
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 17343908
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
1-ethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 6247630
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
N-[(3-ethoxypropanoylamino)carbamothioyl]-2-phenylacetamide
CID 17358006
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The IUPAC name of 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide (CID 17357847) is 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide.
What is the SMILES notation for 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The canonical SMILES for 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide is CCOCCC(=O)NNC(=O)/C=C/c1ccccc1.
What is the InChIKey of 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The InChIKey is DECXXIGCBNZZSB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-11-10-14(18)16-15-13(17)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17)(H,16,18)/b9-8+.
What are the key properties of 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide is sourced from PubChem (CID 17357847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).