benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate

C21H18N2O3 — CID 71745838

IUPACbenzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
SMILESO=C(NC(c1ccoc1)c1c[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(26-13-15-6-2-1-3-7-15)23-20(16-10-11-25-14-16)18-12-22-19-9-5-4-8-17(18)19/h1-12,14,20,22H,13H2,(H,23,24)
InChIKeyAIYXSWHEAJLVBE-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.78
Rot. Bonds5

About benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate

benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate (PubChem CID 71745838) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
PubChem CID71745838
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namebenzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
SMILESO=C(NC(c1ccoc1)c1c[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(26-13-15-6-2-1-3-7-15)23-20(16-10-11-25-14-16)18-12-22-19-9-5-4-8-17(18)19/h1-12,14,20,22H,13H2,(H,23,24)
InChIKeyAIYXSWHEAJLVBE-UHFFFAOYSA-N
XLogP4.78
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
CID 71745835
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
CID 71746186
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
CID 71745840
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
benzyl N-[1-amino-3-(1H-indol-3-yl)-1,3-dioxopropan-2-yl]carbamate
CID 5086534
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
CID 71065259
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 14160293

Frequently Asked Questions

What is the IUPAC name of benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate?
The IUPAC name of benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate (CID 71745838) is benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate is O=C(NC(c1ccoc1)c1c[nH]c2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate?
The InChIKey is AIYXSWHEAJLVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(26-13-15-6-2-1-3-7-15)23-20(16-10-11-25-14-16)18-12-22-19-9-5-4-8-17(18)19/h1-12,14,20,22H,13H2,(H,23,24).
What are the key properties of benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate?
benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate has a molecular weight of 346.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate is sourced from PubChem (CID 71745838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).