(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide

C15H20N2O3 — CID 134689208

IUPAC(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
SMILESCO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C15H20N2O3/c1-19-14-8-17(13-10-20-9-12(13)14)15(18)16-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14+/m1/s1
InChIKeyLRLBCTXHOMTEIV-RDBSUJKOSA-N
MW276.34 g/mol
LogP1.24
Rot. Bonds3

About (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide

(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide (PubChem CID 134689208) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
PubChem CID134689208
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
SMILESCO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C15H20N2O3/c1-19-14-8-17(13-10-20-9-12(13)14)15(18)16-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14+/m1/s1
InChIKeyLRLBCTXHOMTEIV-RDBSUJKOSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide with MolForge

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Related Compounds

1-Benzyl-3-(oxolan-2-ylmethyl)urea
CID 10633458
1-Benzyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 46577481
1-[2-[Benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethyl)urea
CID 72137066
1-Benzyl-1-(2-hydroxy-2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84598160
1-Benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea
CID 84598746
(3aS,5S,6R,6aR)-3-benzyl-5-[(1R)-1,2-dihydroxyethyl]-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-2-one
CID 11208623
1-[1-(4-Fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 17182391
1-[(3-Fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 43061467
1-[(4-Fluorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 47164310
1-[(3-Fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea
CID 71934968
3-[Cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86892990
1-[(3-Fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
CID 86912550

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The IUPAC name of (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide (CID 134689208) is (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The canonical SMILES for (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide is CO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12.
What is the InChIKey of (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The InChIKey is LRLBCTXHOMTEIV-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-14-8-17(13-10-20-9-12(13)14)15(18)16-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14+/m1/s1.
What are the key properties of (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
(3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-N-benzyl-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide is sourced from PubChem (CID 134689208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).