N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide

C24H25N3O4 — CID 42944416

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C(NC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4/c1-24(2,3)18-13-11-17(12-14-18)21(28)26-27-23(30)20(16-8-5-4-6-9-16)25-22(29)19-10-7-15-31-19/h4-15,20H,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyUOMXBMJGOBFGHW-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.51
Rot. Bonds5

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide (PubChem CID 42944416) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide
PubChem CID42944416
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C(NC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4/c1-24(2,3)18-13-11-17(12-14-18)21(28)26-27-23(30)20(16-8-5-4-6-9-16)25-22(29)19-10-7-15-31-19/h4-15,20H,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyUOMXBMJGOBFGHW-UHFFFAOYSA-N
XLogP3.51
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6926226
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide (CID 42944416) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide is CC(C)(C)c1ccc(C(=O)NNC(=O)C(NC(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide?
The InChIKey is UOMXBMJGOBFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-24(2,3)18-13-11-17(12-14-18)21(28)26-27-23(30)20(16-8-5-4-6-9-16)25-22(29)19-10-7-15-31-19/h4-15,20H,1-3H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 42944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).