4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide

C19H23N3O4 — CID 9477234

IUPAC4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)14-8-6-13(7-9-14)17(24)20-11-10-16(23)21-22-18(25)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZQEKBHJIQBZOEE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.16
Rot. Bonds5

About 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 9477234) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID9477234
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)14-8-6-13(7-9-14)17(24)20-11-10-16(23)21-22-18(25)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZQEKBHJIQBZOEE-UHFFFAOYSA-N
XLogP2.16
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.16
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

N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4787903
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55716370
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide (CID 9477234) is 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is ZQEKBHJIQBZOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)14-8-6-13(7-9-14)17(24)20-11-10-16(23)21-22-18(25)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 9477234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).