tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate

C18H25NO5 — CID 122212288

IUPACtert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CO[C@@H]2OC[C@H](OCc3ccccc3)[C@@H]21
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(20)19-13-10-22-16-15(13)14(11-23-16)21-9-12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3,(H,19,20)/t13-,14-,15-,16+/m0/s1
InChIKeyKSPWBVNOEQDNJR-YHUYYLMFSA-N
MW335.40 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate

tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate (PubChem CID 122212288) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
PubChem CID122212288
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nametert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CO[C@@H]2OC[C@H](OCc3ccccc3)[C@@H]21
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(20)19-13-10-22-16-15(13)14(11-23-16)21-9-12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3,(H,19,20)/t13-,14-,15-,16+/m0/s1
InChIKeyKSPWBVNOEQDNJR-YHUYYLMFSA-N
XLogP2.47
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
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CID 158364614
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209
[(4S)-2-oxo-4-phenylmethoxy-1,3-oxazolidin-3-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-2-carboxylate
CID 132584010
tert-butyl N-[(3S,4R,5R)-4-phenylmethoxy-5-[(E)-tetradec-1-enyl]oxolan-3-yl]carbamate
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(3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl) carbamate
CID 141150025
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
tert-butyl N-[9-methyl-2-oxo-7,8-bis(phenylmethoxy)-1,5-dioxonan-3-yl]carbamate
CID 123502531
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
tert-butyl N-[(1R,2S,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-phenylmethoxycyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate (CID 122212288) is tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CO[C@@H]2OC[C@H](OCc3ccccc3)[C@@H]21.
What is the InChIKey of tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate?
The InChIKey is KSPWBVNOEQDNJR-YHUYYLMFSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(2,3)24-17(20)19-13-10-22-16-15(13)14(11-23-16)21-9-12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3,(H,19,20)/t13-,14-,15-,16+/m0/s1.
What are the key properties of tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate?
tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate has a molecular weight of 335.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate is sourced from PubChem (CID 122212288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).