tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate

C16H28N2O3 — CID 107444427

IUPACtert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccco1)C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)18(14(19)21-16(4,5)6)10-9-17-12-13-8-7-11-20-13/h7-8,11,17H,9-10,12H2,1-6H3
InChIKeyLCIBILBYDRRWBS-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.40
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate (PubChem CID 107444427) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
PubChem CID107444427
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccco1)C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)18(14(19)21-16(4,5)6)10-9-17-12-13-8-7-11-20-13/h7-8,11,17H,9-10,12H2,1-6H3
InChIKeyLCIBILBYDRRWBS-UHFFFAOYSA-N
XLogP3.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245973
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N-tert-butyl-N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 106037799
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
CID 107246314
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate (CID 107444427) is tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCc1ccco1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate?
The InChIKey is LCIBILBYDRRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)18(14(19)21-16(4,5)6)10-9-17-12-13-8-7-11-20-13/h7-8,11,17H,9-10,12H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107444427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).