N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C23H24N2O5 — CID 9219874

IUPACN'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-3-15-28-19-11-9-17(10-12-19)22(26)24-25-23(27)21-14-13-20(30-21)16-29-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyNURCRRUMDJUHOA-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.11
Rot. Bonds9

About N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9219874) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9219874
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-3-15-28-19-11-9-17(10-12-19)22(26)24-25-23(27)21-14-13-20(30-21)16-29-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyNURCRRUMDJUHOA-UHFFFAOYSA-N
XLogP4.11
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 46656743
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9219874) is N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is NURCRRUMDJUHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-3-15-28-19-11-9-17(10-12-19)22(26)24-25-23(27)21-14-13-20(30-21)16-29-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 408.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).