N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide

C24H26N4O4 — CID 54834446

IUPACN-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)28-22(30)16-9-11-17(12-10-16)25-15-21(29)26-18-6-4-7-19(14-18)27-23(31)20-8-5-13-32-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeySJFKJFCOQMVEFC-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.11
Rot. Bonds7

About N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54834446) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID54834446
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)28-22(30)16-9-11-17(12-10-16)25-15-21(29)26-18-6-4-7-19(14-18)27-23(31)20-8-5-13-32-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeySJFKJFCOQMVEFC-UHFFFAOYSA-N
XLogP4.11
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54841812
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide (CID 54834446) is N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide is CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is SJFKJFCOQMVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)28-22(30)16-9-11-17(12-10-16)25-15-21(29)26-18-6-4-7-19(14-18)27-23(31)20-8-5-13-32-20/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).