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

C17H24N2O3 — CID 97487169

IUPAC2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1
InChIInChI=1S/C17H24N2O3/c1-18-17(20)8-14-7-13-10-19(11-16(13)22-14)9-12-5-3-4-6-15(12)21-2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14+,16+/m0/s1
InChIKeyDQQJXOOVYPLPTE-SQWLQELKSA-N
MW304.39 g/mol
LogP1.42
Rot. Bonds5

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

2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (PubChem CID 97487169) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
PubChem CID97487169
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1
InChIInChI=1S/C17H24N2O3/c1-18-17(20)8-14-7-13-10-19(11-16(13)22-14)9-12-5-3-4-6-15(12)21-2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14+,16+/m0/s1
InChIKeyDQQJXOOVYPLPTE-SQWLQELKSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97364879
(5aS,8aS)-7-[(2-methoxyphenyl)methyl]-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420164
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155860751
2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 97476485
2-[(2S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486958
2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155846469
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 127023687
2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclobutylacetamide
CID 97486048
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (CID 97487169) is 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The InChIKey is DQQJXOOVYPLPTE-SQWLQELKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-17(20)8-14-7-13-10-19(11-16(13)22-14)9-12-5-3-4-6-15(12)21-2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14+,16+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 97487169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).