N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide

C22H22N2O4 — CID 35767998

IUPACN'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H22N2O4/c1-16-6-5-9-19(14-16)27-15-22(26)24-23-21(25)13-11-18-10-12-20(28-18)17-7-3-2-4-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLHDCTXUEZABACA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.41
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide

N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide (PubChem CID 35767998) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
PubChem CID35767998
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H22N2O4/c1-16-6-5-9-19(14-16)27-15-22(26)24-23-21(25)13-11-18-10-12-20(28-18)17-7-3-2-4-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLHDCTXUEZABACA-UHFFFAOYSA-N
XLogP3.41
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 26901623
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 51195376
5-(4-chlorophenyl)-N'-[2-(3-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 24502806
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 9418178
2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666377
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 27845184
3-(5-phenylfuran-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 46481923
4-ethoxy-3-methoxy-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9439850
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 35768091

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide (CID 35767998) is N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide is Cc1cccc(OCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The InChIKey is LHDCTXUEZABACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-16-6-5-9-19(14-16)27-15-22(26)24-23-21(25)13-11-18-10-12-20(28-18)17-7-3-2-4-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide is sourced from PubChem (CID 35767998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).