N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C23H24N2O5 — CID 8623746

IUPACN'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C23H24N2O5/c1-16(2)14-28-19-10-6-7-17(13-19)22(26)24-25-23(27)21-12-11-20(30-21)15-29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWKJTXNDRJMJUIB-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.97
Rot. Bonds8

About N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 8623746) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID8623746
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C23H24N2O5/c1-16(2)14-28-19-10-6-7-17(13-19)22(26)24-25-23(27)21-12-11-20(30-21)15-29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWKJTXNDRJMJUIB-UHFFFAOYSA-N
XLogP3.97
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate
CID 9061188
5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
CID 46521441

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 8623746) is N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is CC(C)COc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1.
What is the InChIKey of N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is WKJTXNDRJMJUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-16(2)14-28-19-10-6-7-17(13-19)22(26)24-25-23(27)21-12-11-20(30-21)15-29-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 408.45 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 8623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).