tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate

C20H23NO4 — CID 132574724

IUPACtert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1ccco1)[C@@]1(C)Cc2ccccc2C1=O
InChIInChI=1S/C20H23NO4/c1-19(2,3)25-18(23)21-16(15-10-7-11-24-15)20(4)12-13-8-5-6-9-14(13)17(20)22/h5-11,16H,12H2,1-4H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyRCPFPNBWAJDNTI-OXJNMPFZSA-N
MW341.41 g/mol
LogP4.29
Rot. Bonds3

About tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate

tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate (PubChem CID 132574724) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate
PubChem CID132574724
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nametert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1ccco1)[C@@]1(C)Cc2ccccc2C1=O
InChIInChI=1S/C20H23NO4/c1-19(2,3)25-18(23)21-16(15-10-7-11-24-15)20(4)12-13-8-5-6-9-14(13)17(20)22/h5-11,16H,12H2,1-4H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyRCPFPNBWAJDNTI-OXJNMPFZSA-N
XLogP4.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxo-1H-indene-2-carboxylate
CID 134973026
tert-butyl N-[(S)-[(2S)-2-fluoro-3-oxo-1H-inden-2-yl]-(4-fluorophenyl)methyl]carbamate
CID 132937271
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[(S)-(4-fluorophenyl)-[(5R)-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-5-yl]methyl]carbamate
CID 134954974
tert-butyl (2R,3'R)-3'-(furan-2-yl)-3-oxospiro[1H-indene-2,2'-aziridine]-1'-carboxylate
CID 134956334
tert-butyl (2S,3S)-2-(fluoren-9-ylideneamino)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102575578
tert-butyl (2S)-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 15965724
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-(2-acetyl-3-oxo-1H-inden-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 122233072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate (CID 132574724) is tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate is CC(C)(C)OC(=O)N[C@@H](c1ccco1)[C@@]1(C)Cc2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate?
The InChIKey is RCPFPNBWAJDNTI-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H23NO4/c1-19(2,3)25-18(23)21-16(15-10-7-11-24-15)20(4)12-13-8-5-6-9-14(13)17(20)22/h5-11,16H,12H2,1-4H3,(H,21,23)/t16-,20+/m0/s1.
What are the key properties of tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate?
tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-furan-2-yl-[(2R)-2-methyl-3-oxo-1H-inden-2-yl]methyl]carbamate is sourced from PubChem (CID 132574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).