tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate

C16H26N2O4 — CID 2999283

IUPACtert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O4/c1-6-11(2)13(18-15(20)22-16(3,4)5)14(19)17-10-12-8-7-9-21-12/h7-9,11,13H,6,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyWNVSIBPLGGXOMW-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 2999283) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID2999283
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O4/c1-6-11(2)13(18-15(20)22-16(3,4)5)14(19)17-10-12-8-7-9-21-12/h7-9,11,13H,6,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyWNVSIBPLGGXOMW-UHFFFAOYSA-N
XLogP2.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate (CID 2999283) is tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is WNVSIBPLGGXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-11(2)13(18-15(20)22-16(3,4)5)14(19)17-10-12-8-7-9-21-12/h7-9,11,13H,6,10H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 2999283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).