N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C23H22N2O5 — CID 9187429

IUPACN'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H22N2O5/c1-16-8-11-20(28-2)17(14-16)9-13-22(26)24-25-23(27)21-12-10-19(30-21)15-29-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)/b13-9+
InChIKeyUFJVPZKOVOBCNY-UKTHLTGXSA-N
MW406.44 g/mol
LogP3.65
Rot. Bonds7

About N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9187429) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9187429
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H22N2O5/c1-16-8-11-20(28-2)17(14-16)9-13-22(26)24-25-23(27)21-12-10-19(30-21)15-29-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)/b13-9+
InChIKeyUFJVPZKOVOBCNY-UKTHLTGXSA-N
XLogP3.65
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.65
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

N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717739
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219849
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
CID 26262587
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9187429) is N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is COc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is UFJVPZKOVOBCNY-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-16-8-11-20(28-2)17(14-16)9-13-22(26)24-25-23(27)21-12-10-19(30-21)15-29-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)/b13-9+.
What are the key properties of N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9187429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).