(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione

C21H22N2O4 — CID 67909427

IUPAC(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione
SMILESCOc1ccc(CN2C(=O)N([C@H](C)c3ccccc3)[C@H]3COC(=O)[C@H]32)cc1
InChIInChI=1S/C21H22N2O4/c1-14(16-6-4-3-5-7-16)23-18-13-27-20(24)19(18)22(21(23)25)12-15-8-10-17(26-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18+,19+/m1/s1
InChIKeyPWAMTYJMISOYDO-CCKFTAQKSA-N
MW366.42 g/mol
LogP2.99
Rot. Bonds5

About (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione

(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione (PubChem CID 67909427) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione.

Molecular Properties

Compound Name(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione
PubChem CID67909427
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione
SMILESCOc1ccc(CN2C(=O)N([C@H](C)c3ccccc3)[C@H]3COC(=O)[C@H]32)cc1
InChIInChI=1S/C21H22N2O4/c1-14(16-6-4-3-5-7-16)23-18-13-27-20(24)19(18)22(21(23)25)12-15-8-10-17(26-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18+,19+/m1/s1
InChIKeyPWAMTYJMISOYDO-CCKFTAQKSA-N
XLogP2.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione with MolForge

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Related Compounds

4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
2-[1-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-thieno[3,4-d]imidazol-6-ylidene]pentanoic acid
CID 173396674
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
(1S,2R,5S)-2-amino-6-benzyl-8-[(4-methoxyphenyl)methyl]-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
CID 46237312
1-[(4-methoxyphenyl)methyl]-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 11439021
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione?
The IUPAC name of (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione (CID 67909427) is (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione.
What is the SMILES notation for (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione?
The canonical SMILES for (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione is COc1ccc(CN2C(=O)N([C@H](C)c3ccccc3)[C@H]3COC(=O)[C@H]32)cc1.
What is the InChIKey of (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione?
The InChIKey is PWAMTYJMISOYDO-CCKFTAQKSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(16-6-4-3-5-7-16)23-18-13-27-20(24)19(18)22(21(23)25)12-15-8-10-17(26-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18+,19+/m1/s1.
What are the key properties of (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione?
(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione has a molecular weight of 366.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione is sourced from PubChem (CID 67909427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).