[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone

C20H22N2O2 — CID 72545012

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C20H22N2O2/c23-20(22-12-16-10-21-11-17(16)13-22)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-9,16-17,21H,10-14H2/t16-,17+
InChIKeyQONHPJVSOQTKMM-CALCHBBNSA-N
MW322.41 g/mol
LogP2.56
Rot. Bonds4

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone (PubChem CID 72545012) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone
PubChem CID72545012
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C20H22N2O2/c23-20(22-12-16-10-21-11-17(16)13-22)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-9,16-17,21H,10-14H2/t16-,17+
InChIKeyQONHPJVSOQTKMM-CALCHBBNSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone 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

2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N-propan-2-ylbenzamide
CID 44275761
N-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodo-2,3-dihydro-1-benzofuran-7-carboxamide
CID 44312781
N-(1-benzylpiperidin-4-yl)-2-ethoxybenzamide
CID 8181355
(S)-N-(cyclobutylmethyl)-2-phenoxy-N-(pyrrolidin-3-yl)benzamide
CID 11501191
(S)-N-ethyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide
CID 11559300

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone (CID 72545012) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone is O=C(c1ccccc1OCc1ccccc1)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone?
The InChIKey is QONHPJVSOQTKMM-CALCHBBNSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(22-12-16-10-21-11-17(16)13-22)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-9,16-17,21H,10-14H2/t16-,17+.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 72545012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).