N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide

C24H25N3O6 — CID 24553932

IUPACN-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C24H25N3O6/c1-16(2)32-19-10-8-17(9-11-19)23(29)25-14-22(28)26-27-24(30)21-13-12-20(33-21)15-31-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFJQNWLYUKWASPZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.84
Rot. Bonds9

About N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide

N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 24553932) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID24553932
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC NameN-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C24H25N3O6/c1-16(2)32-19-10-8-17(9-11-19)23(29)25-14-22(28)26-27-24(30)21-13-12-20(33-21)15-31-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFJQNWLYUKWASPZ-UHFFFAOYSA-N
XLogP2.84
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
CID 31837609
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide (CID 24553932) is N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is FJQNWLYUKWASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-16(2)32-19-10-8-17(9-11-19)23(29)25-14-22(28)26-27-24(30)21-13-12-20(33-21)15-31-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 451.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24553932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).