1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one

C19H27NO4 — CID 124799034

IUPAC1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2C[C@H]3COC[C@@]3(COC)C2)cc1
InChIInChI=1S/C19H27NO4/c1-3-24-17-7-4-15(5-8-17)6-9-18(21)20-10-16-11-23-14-19(16,12-20)13-22-2/h4-5,7-8,16H,3,6,9-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyZZHVVIHKOLTKCG-LPHOPBHVSA-N
MW333.43 g/mol
LogP2.14
Rot. Bonds7

About 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one

1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one (PubChem CID 124799034) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one
PubChem CID124799034
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2C[C@H]3COC[C@@]3(COC)C2)cc1
InChIInChI=1S/C19H27NO4/c1-3-24-17-7-4-15(5-8-17)6-9-18(21)20-10-16-11-23-14-19(16,12-20)13-22-2/h4-5,7-8,16H,3,6,9-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyZZHVVIHKOLTKCG-LPHOPBHVSA-N
XLogP2.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 162637297
[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 157018312
[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-fluoro-2-pyridinyl)methanone
CID 157018225
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 157011056
[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 162630615
(3aR,6aS)-3a-(methoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124797045
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
(3aR,6aS)-3a-(methoxymethyl)-5-(4-pentylphenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162630093
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one?
The IUPAC name of 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one (CID 124799034) is 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one is CCOc1ccc(CCC(=O)N2C[C@H]3COC[C@@]3(COC)C2)cc1.
What is the InChIKey of 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one?
The InChIKey is ZZHVVIHKOLTKCG-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-24-17-7-4-15(5-8-17)6-9-18(21)20-10-16-11-23-14-19(16,12-20)13-22-2/h4-5,7-8,16H,3,6,9-14H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one?
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one has a molecular weight of 333.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(4-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 124799034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).