N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C21H20N2O4 — CID 18204877

IUPACN'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H20N2O4/c1-15-7-5-6-8-16(15)13-20(24)22-23-21(25)19-12-11-18(27-19)14-26-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCJHOATSCVXQOTD-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.17
Rot. Bonds6

About N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 18204877) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID18204877
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H20N2O4/c1-15-7-5-6-8-16(15)13-20(24)22-23-21(25)19-12-11-18(27-19)14-26-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCJHOATSCVXQOTD-UHFFFAOYSA-N
XLogP3.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.17
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

N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 18204877) is N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is Cc1ccccc1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is CJHOATSCVXQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15-7-5-6-8-16(15)13-20(24)22-23-21(25)19-12-11-18(27-19)14-26-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 364.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 18204877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).