tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate

C16H28N2O3 — CID 103781324

IUPACtert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
SMILESCCN(CCCNC(C)c1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-6-18(15(19)21-16(3,4)5)11-8-10-17-13(2)14-9-7-12-20-14/h7,9,12-13,17H,6,8,10-11H2,1-5H3
InChIKeyNDYQDDHSKKROLX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.58
Rot. Bonds7

About tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate (PubChem CID 103781324) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
PubChem CID103781324
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
SMILESCCN(CCCNC(C)c1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-6-18(15(19)21-16(3,4)5)11-8-10-17-13(2)14-9-7-12-20-14/h7,9,12-13,17H,6,8,10-11H2,1-5H3
InChIKeyNDYQDDHSKKROLX-UHFFFAOYSA-N
XLogP3.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.58
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-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
CID 107242592
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate (CID 103781324) is tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate is CCN(CCCNC(C)c1ccco1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate?
The InChIKey is NDYQDDHSKKROLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-18(15(19)21-16(3,4)5)11-8-10-17-13(2)14-9-7-12-20-14/h7,9,12-13,17H,6,8,10-11H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103781324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).