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

C14H24N2O3 — CID 103780651

IUPACtert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C14H24N2O3/c1-11(12-6-9-18-10-12)15-7-8-16(5)13(17)19-14(2,3)4/h6,9-11,15H,7-8H2,1-5H3
InChIKeyHJRWLLCSCCMURP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.80
Rot. Bonds5

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

tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate (PubChem CID 103780651) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
PubChem CID103780651
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C14H24N2O3/c1-11(12-6-9-18-10-12)15-7-8-16(5)13(17)19-14(2,3)4/h6,9-11,15H,7-8H2,1-5H3
InChIKeyHJRWLLCSCCMURP-UHFFFAOYSA-N
XLogP2.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
CID 107245057
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780582
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate (CID 103780651) is tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate is CC(NCCN(C)C(=O)OC(C)(C)C)c1ccoc1.
What is the InChIKey of tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate?
The InChIKey is HJRWLLCSCCMURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(12-6-9-18-10-12)15-7-8-16(5)13(17)19-14(2,3)4/h6,9-11,15H,7-8H2,1-5H3.
What are the key properties of tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate has a molecular weight of 268.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103780651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).