tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate

C16H24N2O3 — CID 171469703

IUPACtert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate
SMILESCCN(C[C@H]1c2ncccc2O[C@@H]1C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-6-18(15(19)21-16(3,4)5)10-12-11(2)20-13-8-7-9-17-14(12)13/h7-9,11-12H,6,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyWTSXPHCTYXJXEJ-VXGBXAGGSA-N
MW292.38 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate

tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate (PubChem CID 171469703) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate
PubChem CID171469703
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate
SMILESCCN(C[C@H]1c2ncccc2O[C@@H]1C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-6-18(15(19)21-16(3,4)5)10-12-11(2)20-13-8-7-9-17-14(12)13/h7-9,11-12H,6,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyWTSXPHCTYXJXEJ-VXGBXAGGSA-N
XLogP3.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate with MolForge

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Related Compounds

[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
CID 165402682
N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
CID 171469707
tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053667
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate
CID 107245384
tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate
CID 171469689
tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
CID 70848374
2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
CID 174191549
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
tert-butyl N-amino-N-(3-methyl-2-pyridinyl)carbamate
CID 173130501
tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
CID 144770393
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate (CID 171469703) is tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate is CCN(C[C@H]1c2ncccc2O[C@@H]1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate?
The InChIKey is WTSXPHCTYXJXEJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-18(15(19)21-16(3,4)5)10-12-11(2)20-13-8-7-9-17-14(12)13/h7-9,11-12H,6,10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate?
tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate is sourced from PubChem (CID 171469703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).