tert-butyl N-(furan-3-ylmethyl)carbamate

C10H15NO3 — CID 45091890

IUPACtert-butyl N-(furan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccoc1
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-6-8-4-5-13-7-8/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyIRUMQDSNZYYNJI-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl N-(furan-3-ylmethyl)carbamate

tert-butyl N-(furan-3-ylmethyl)carbamate (PubChem CID 45091890) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl N-(furan-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(furan-3-ylmethyl)carbamate
PubChem CID45091890
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl N-(furan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccoc1
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-6-8-4-5-13-7-8/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyIRUMQDSNZYYNJI-UHFFFAOYSA-N
XLogP2.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(furan-3-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
CID 102729720
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831497
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(furan-3-ylmethyl)carbamate (CID 45091890) is tert-butyl N-(furan-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(furan-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(furan-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccoc1.
What is the InChIKey of tert-butyl N-(furan-3-ylmethyl)carbamate?
The InChIKey is IRUMQDSNZYYNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-6-8-4-5-13-7-8/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(furan-3-ylmethyl)carbamate?
tert-butyl N-(furan-3-ylmethyl)carbamate has a molecular weight of 197.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(furan-3-ylmethyl)carbamate is sourced from PubChem (CID 45091890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).