tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate

C21H25N3O5 — CID 123265806

IUPACtert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1C(=O)Cc2ccc(-c3ccc(CC(NC(=O)OC(C)(C)C)C(N)=O)o3)cc21
InChIInChI=1S/C21H25N3O5/c1-21(2,3)29-20(27)23-15(19(22)26)11-14-7-8-17(28-14)13-6-5-12-10-18(25)24(4)16(12)9-13/h5-9,15H,10-11H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyQPAYHSDTHUEQOG-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 123265806) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate
PubChem CID123265806
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Nametert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1C(=O)Cc2ccc(-c3ccc(CC(NC(=O)OC(C)(C)C)C(N)=O)o3)cc21
InChIInChI=1S/C21H25N3O5/c1-21(2,3)29-20(27)23-15(19(22)26)11-14-7-8-17(28-14)13-6-5-12-10-18(25)24(4)16(12)9-13/h5-9,15H,10-11H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyQPAYHSDTHUEQOG-UHFFFAOYSA-N
XLogP2.39
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-bromophenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880901
3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880471
tert-butyl N-[1-amino-3-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]-1-oxopropan-2-yl]carbamate
CID 118260123
tert-butyl (1R,4S)-3-[[(2S)-1-amino-3-[2,3-difluoro-4-(1-methyl-2-oxo-3H-indol-6-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 163676930
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
3-[5-(2-bromophenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880966
tert-butyl N-[1-amino-3-(5-bromothiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 123182448
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-[1-amino-3-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 12831198
tert-butyl N-[(2S)-1-amino-3-(9,10-dihydrophenanthren-2-yl)-1-oxopropan-2-yl]carbamate
CID 167103545
tert-butyl 3-[[1-cyano-2-[4-(1-methyl-2-oxo-3H-indol-6-yl)phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 123986745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate (CID 123265806) is tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate is CN1C(=O)Cc2ccc(-c3ccc(CC(NC(=O)OC(C)(C)C)C(N)=O)o3)cc21.
What is the InChIKey of tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is QPAYHSDTHUEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-21(2,3)29-20(27)23-15(19(22)26)11-14-7-8-17(28-14)13-6-5-12-10-18(25)24(4)16(12)9-13/h5-9,15H,10-11H2,1-4H3,(H2,22,26)(H,23,27).
What are the key properties of tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 399.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-[5-(1-methyl-2-oxo-3H-indol-6-yl)furan-2-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123265806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).