tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate

C24H25N3O5 — CID 46559187

IUPACtert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H25N3O5/c1-24(2,3)32-23(30)27-17-11-9-16(10-12-17)14-21(28)25-18-6-4-7-19(15-18)26-22(29)20-8-5-13-31-20/h4-13,15H,14H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyIRSKOCGBGCZXAQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.06
Rot. Bonds6

About tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate (PubChem CID 46559187) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
PubChem CID46559187
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Nametert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H25N3O5/c1-24(2,3)32-23(30)27-17-11-9-16(10-12-17)14-21(28)25-18-6-4-7-19(15-18)26-22(29)20-8-5-13-31-20/h4-13,15H,14H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyIRSKOCGBGCZXAQ-UHFFFAOYSA-N
XLogP5.06
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
CID 46402705
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
tert-butyl N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]carbamate
CID 9161852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate (CID 46559187) is tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is IRSKOCGBGCZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-24(2,3)32-23(30)27-17-11-9-16(10-12-17)14-21(28)25-18-6-4-7-19(15-18)26-22(29)20-8-5-13-31-20/h4-13,15H,14H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 46559187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).