tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate

C18H32N2O3 — CID 107252008

IUPACtert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
SMILESCCc1ccc(CNC(CC)(CC)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H32N2O3/c1-7-14-10-11-15(22-14)12-20-18(8-2,9-3)13-19-16(21)23-17(4,5)6/h10-11,20H,7-9,12-13H2,1-6H3,(H,19,21)
InChIKeyKEJFMFZGSCWGET-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.02
Rot. Bonds8

About tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate

tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate (PubChem CID 107252008) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
PubChem CID107252008
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
SMILESCCc1ccc(CNC(CC)(CC)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H32N2O3/c1-7-14-10-11-15(22-14)12-20-18(8-2,9-3)13-19-16(21)23-17(4,5)6/h10-11,20H,7-9,12-13H2,1-6H3,(H,19,21)
InChIKeyKEJFMFZGSCWGET-UHFFFAOYSA-N
XLogP4.02
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
CID 103720598
tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
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tert-butyl N-[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-ethylbutyl]carbamate
CID 107252011
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
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tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
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tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
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tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115697426
methyl 3-[(5-ethylfuran-2-yl)methylamino]-2,2-dimethylpropanoate
CID 113372076
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate (CID 107252008) is tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate is CCc1ccc(CNC(CC)(CC)CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate?
The InChIKey is KEJFMFZGSCWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-7-14-10-11-15(22-14)12-20-18(8-2,9-3)13-19-16(21)23-17(4,5)6/h10-11,20H,7-9,12-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate?
tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate is sourced from PubChem (CID 107252008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).