tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate

C19H22BrN3O5 — CID 108917964

IUPACtert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H22BrN3O5/c1-19(2,3)28-18(26)22-11-16(24)21-10-12-6-4-5-7-13(12)23-17(25)14-8-9-15(20)27-14/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyODFQHVAXSNKMAH-UHFFFAOYSA-N
MW452.31 g/mol
LogP3.44
Rot. Bonds6

About tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate (PubChem CID 108917964) has the molecular formula C19H22BrN3O5 and a molecular weight of 452.31 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
PubChem CID108917964
Molecular FormulaC19H22BrN3O5
Molecular Weight452.31 g/mol
Exact Mass451.07
IUPAC Nametert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H22BrN3O5/c1-19(2,3)28-18(26)22-11-16(24)21-10-12-6-4-5-7-13(12)23-17(25)14-8-9-15(20)27-14/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyODFQHVAXSNKMAH-UHFFFAOYSA-N
XLogP3.44
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[2-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918152
tert-butyl N-[2-[[2-[(2-cyclohexylideneacetyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918254
tert-butyl N-[2-[2-[(3-methoxypropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918087
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
tert-butyl N-[2-oxo-2-[[2-[[(E)-pent-2-enoyl]amino]phenyl]methylamino]ethyl]carbamate
CID 108918244
tert-butyl N-[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917974
tert-butyl N-[2-[[2-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918264
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[2-[[2-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917982
tert-butyl N-[2-oxo-2-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methylamino]ethyl]carbamate
CID 108918008
tert-butyl N-[2-[2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate (CID 108917964) is tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCc1ccccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The InChIKey is ODFQHVAXSNKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O5/c1-19(2,3)28-18(26)22-11-16(24)21-10-12-6-4-5-7-13(12)23-17(25)14-8-9-15(20)27-14/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 452.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).