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

C18H27N3O3 — CID 134690471

IUPAC(3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
SMILESCN(C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C18H27N3O3/c1-20(2)8-9-24-17-11-21(16-13-23-12-15(16)17)18(22)19-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,19,22)/t15-,16+,17+/m1/s1
InChIKeyFANUPJSFAIYKJK-IKGGRYGDSA-N
MW333.43 g/mol
LogP1.17
Rot. Bonds6

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

(3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide (PubChem CID 134690471) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
PubChem CID134690471
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide
SMILESCN(C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C18H27N3O3/c1-20(2)8-9-24-17-11-21(16-13-23-12-15(16)17)18(22)19-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,19,22)/t15-,16+,17+/m1/s1
InChIKeyFANUPJSFAIYKJK-IKGGRYGDSA-N
XLogP1.17
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 53098563
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CID 46577481
1-[2-[Benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethyl)urea
CID 72137066
9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75423401
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)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl] (6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155742056
(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
3-Cyclopropyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 49467042
3-Cyclohexyl-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 49539228
1-Cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 53577420
1-[(4-Fluorophenyl)-(oxolan-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60569431

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The IUPAC name of (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide (CID 134690471) is (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The canonical SMILES for (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide is CN(C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@H]2COC[C@@H]12.
What is the InChIKey of (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
The InChIKey is FANUPJSFAIYKJK-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)8-9-24-17-11-21(16-13-23-12-15(16)17)18(22)19-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,19,22)/t15-,16+,17+/m1/s1.
What are the key properties of (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide?
(3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-N-benzyl-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxamide is sourced from PubChem (CID 134690471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).