tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate

C21H25N3O4 — CID 174900584

IUPACtert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2cccc(C#N)c2)oc1C1CNCCO1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)28-20(25)24-12-16-10-17(15-6-4-5-14(9-15)11-22)27-19(16)18-13-23-7-8-26-18/h4-6,9-10,18,23H,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyIUIWPRSYDUEUGI-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.50
Rot. Bonds4

About tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate

tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate (PubChem CID 174900584) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate
PubChem CID174900584
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nametert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2cccc(C#N)c2)oc1C1CNCCO1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)28-20(25)24-12-16-10-17(15-6-4-5-14(9-15)11-22)27-19(16)18-13-23-7-8-26-18/h4-6,9-10,18,23H,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyIUIWPRSYDUEUGI-UHFFFAOYSA-N
XLogP3.50
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
CID 117472224
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[[3-(5-cyano-2-methoxyphenyl)phenyl]methyl]carbamate
CID 86607705
tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate
CID 115111844
tert-butyl N-[[4-cyano-2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 68755510
tert-butyl N-[2-[(3-cyanophenyl)methylamino]cyclopropyl]carbamate
CID 107238080
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[1-(3-cyanophenyl)-3-oxopropyl]carbamate
CID 91126844
tert-butyl N-[[(4R)-8-(4-cyanophenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 175998709
tert-butyl N-[[1-[(3-cyanophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 60602632
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate (CID 174900584) is tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(-c2cccc(C#N)c2)oc1C1CNCCO1.
What is the InChIKey of tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate?
The InChIKey is IUIWPRSYDUEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(2,3)28-20(25)24-12-16-10-17(15-6-4-5-14(9-15)11-22)27-19(16)18-13-23-7-8-26-18/h4-6,9-10,18,23H,7-8,12-13H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate?
tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate is sourced from PubChem (CID 174900584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).