4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C25H27N3O4 — CID 5440236

IUPAC4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-27-15-18-6-12-21(13-7-18)32-17-23(29)26-16-22-5-4-14-31-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,28,30)/b27-15-
InChIKeyRNKHDLIWBGJCHG-DICXZTSXSA-N
MW433.51 g/mol
LogP4.04
Rot. Bonds8

About 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 5440236) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID5440236
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-27-15-18-6-12-21(13-7-18)32-17-23(29)26-16-22-5-4-14-31-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,28,30)/b27-15-
InChIKeyRNKHDLIWBGJCHG-DICXZTSXSA-N
XLogP4.04
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
2-[4-[(Z)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9466108
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-(furan-2-ylmethyl)-2-[4-[[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 4027048
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832643
2-benzylsulfanyl-N-[[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]propanamide
CID 3138976
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 94832080

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 5440236) is 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is RNKHDLIWBGJCHG-DICXZTSXSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-27-15-18-6-12-21(13-7-18)32-17-23(29)26-16-22-5-4-14-31-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,28,30)/b27-15-.
What are the key properties of 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5440236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).