N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide

C17H18N2O4 — CID 4500595

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-7-15(13(2)10-12)23-11-17(21)19-18-16(20)8-6-14-4-3-9-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMZXWJWLBGAKKIL-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.14
Rot. Bonds5

About N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide (PubChem CID 4500595) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
PubChem CID4500595
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-7-15(13(2)10-12)23-11-17(21)19-18-16(20)8-6-14-4-3-9-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMZXWJWLBGAKKIL-UHFFFAOYSA-N
XLogP2.14
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 6123131
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4629485
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4505545
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
[3-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 71950797
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4504677
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide (CID 4500595) is N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide is Cc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The InChIKey is MZXWJWLBGAKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-5-7-15(13(2)10-12)23-11-17(21)19-18-16(20)8-6-14-4-3-9-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide has a molecular weight of 314.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 4500595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).