[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate

C15H19NO4 — CID 54554838

IUPAC[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)O[C@@H]1COC2OCCC21
InChIInChI=1S/C15H19NO4/c1-16(9-11-5-3-2-4-6-11)15(17)20-13-10-19-14-12(13)7-8-18-14/h2-6,12-14H,7-10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyZMLGKEOTGYLZJB-ROKHWSDSSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds3

About [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate

[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate (PubChem CID 54554838) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate
PubChem CID54554838
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)O[C@@H]1COC2OCCC21
InChIInChI=1S/C15H19NO4/c1-16(9-11-5-3-2-4-6-11)15(17)20-13-10-19-14-12(13)7-8-18-14/h2-6,12-14H,7-10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyZMLGKEOTGYLZJB-ROKHWSDSSA-N
XLogP2.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate with MolForge

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Related Compounds

Isosorbide-2-benzylcarbamate-5-acetate
CID 25128786
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CID 42628595
(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
CID 11473430
1-[(6R)-6-methyl-7,9-dioxabicyclo[4.2.1]nonan-8-yl]ethyl N-benzyl-N-methylcarbamate
CID 73758714
1,3-dioxolan-4-yl N-benzyl-N-methylcarbamate
CID 53912908
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-methyl-N-(2-phenylethyl)carbamate
CID 53988974
1,3-dioxan-5-yl N-benzyl-N-methylcarbamate
CID 54357230
oxolan-3-yl N-benzyl-N-methylcarbamate
CID 54532686
[(2R)-oxolan-2-yl] N-benzyl-N-methylcarbamate
CID 68822536
[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate
CID 68823431
[(1R)-1-[(3aS,4S,6R,6aS)-4-dodecoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl] N-benzylcarbamate
CID 69728387
[6-[[(3aR,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-6-oxohexyl]-benzyl-dimethylazanium
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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate?
The IUPAC name of [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate (CID 54554838) is [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate.
What is the SMILES notation for [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate?
The canonical SMILES for [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)O[C@@H]1COC2OCCC21.
What is the InChIKey of [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate?
The InChIKey is ZMLGKEOTGYLZJB-ROKHWSDSSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(9-11-5-3-2-4-6-11)15(17)20-13-10-19-14-12(13)7-8-18-14/h2-6,12-14H,7-10H2,1H3/t12?,13-,14?/m1/s1.
What are the key properties of [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate?
[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate has a molecular weight of 277.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate is sourced from PubChem (CID 54554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).