tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate

C17H21NO3 — CID 145262667

IUPACtert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
SMILESCc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H21NO3/c1-12-7-5-6-8-14(12)15-10-9-13(20-15)11-18-16(19)21-17(2,3)4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyBMDSPDJTBYOANO-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.28
Rot. Bonds3

About tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate

tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate (PubChem CID 145262667) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
PubChem CID145262667
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nametert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
SMILESCc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H21NO3/c1-12-7-5-6-8-14(12)15-10-9-13(20-15)11-18-16(19)21-17(2,3)4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyBMDSPDJTBYOANO-UHFFFAOYSA-N
XLogP4.28
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid
CID 155522514
tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate
CID 151326575
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
CID 163257034
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
3-[5-(2-bromophenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880966
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate (CID 145262667) is tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate is Cc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate?
The InChIKey is BMDSPDJTBYOANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-7-5-6-8-14(12)15-10-9-13(20-15)11-18-16(19)21-17(2,3)4/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate is sourced from PubChem (CID 145262667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).