2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide

C20H30N2O4 — CID 133142087

IUPAC2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide
SMILESCOc1cccc(CN2C[C@@H]3[C@H](CCOCC(=O)N(C)C)CO[C@@H]3C2)c1
InChIInChI=1S/C20H30N2O4/c1-21(2)20(23)14-25-8-7-16-13-26-19-12-22(11-18(16)19)10-15-5-4-6-17(9-15)24-3/h4-6,9,16,18-19H,7-8,10-14H2,1-3H3/t16-,18-,19-/m1/s1
InChIKeyWZODRBYXJRMTOG-BHIYHBOVSA-N
MW362.47 g/mol
LogP1.64
Rot. Bonds8

About 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide

2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide (PubChem CID 133142087) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide
PubChem CID133142087
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide
SMILESCOc1cccc(CN2C[C@@H]3[C@H](CCOCC(=O)N(C)C)CO[C@@H]3C2)c1
InChIInChI=1S/C20H30N2O4/c1-21(2)20(23)14-25-8-7-16-13-26-19-12-22(11-18(16)19)10-15-5-4-6-17(9-15)24-3/h4-6,9,16,18-19H,7-8,10-14H2,1-3H3/t16-,18-,19-/m1/s1
InChIKeyWZODRBYXJRMTOG-BHIYHBOVSA-N
XLogP1.64
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 155875945
2-[2-[(3R,3aR,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171696017
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875
(3R,3aR,6aR)-3-(2-methoxyethyl)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 171693321
(3aS,4R,7aS)-N-cyclopentyl-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155876233
(3aS,4R,7aS)-6-[(3-methoxyphenyl)methyl]-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875444
(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155877207
N-[[(3R,3aR,6aR)-5-[(3,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 124798948
[(5aR,8aS)-7-[(3-methoxyphenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(furan-2-yl)methanone
CID 97420299
3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 67380464
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide (CID 133142087) is 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide is COc1cccc(CN2C[C@@H]3[C@H](CCOCC(=O)N(C)C)CO[C@@H]3C2)c1.
What is the InChIKey of 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide?
The InChIKey is WZODRBYXJRMTOG-BHIYHBOVSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-21(2)20(23)14-25-8-7-16-13-26-19-12-22(11-18(16)19)10-15-5-4-6-17(9-15)24-3/h4-6,9,16,18-19H,7-8,10-14H2,1-3H3/t16-,18-,19-/m1/s1.
What are the key properties of 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide?
2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide has a molecular weight of 362.47 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 133142087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).