(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C21H29FN2O3 — CID 134689605

IUPAC(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1ccc(F)c(CN2C[C@@H](C(=O)NCC3CCOCC3)[C@@H]3OCC[C@H]32)c1
InChIInChI=1S/C21H29FN2O3/c1-14-2-3-18(22)16(10-14)12-24-13-17(20-19(24)6-9-27-20)21(25)23-11-15-4-7-26-8-5-15/h2-3,10,15,17,19-20H,4-9,11-13H2,1H3,(H,23,25)/t17-,19-,20+/m1/s1
InChIKeyGGSAMWLMHBVDIS-RLLQIKCJSA-N
MW376.47 g/mol
LogP2.27
Rot. Bonds5

About (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 134689605) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID134689605
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1ccc(F)c(CN2C[C@@H](C(=O)NCC3CCOCC3)[C@@H]3OCC[C@H]32)c1
InChIInChI=1S/C21H29FN2O3/c1-14-2-3-18(22)16(10-14)12-24-13-17(20-19(24)6-9-27-20)21(25)23-11-15-4-7-26-8-5-15/h2-3,10,15,17,19-20H,4-9,11-13H2,1H3,(H,23,25)/t17-,19-,20+/m1/s1
InChIKeyGGSAMWLMHBVDIS-RLLQIKCJSA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide 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

(2S,4R)-1-[(3aR,6S,6aR)-4-acetyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbonyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140419
(3aR,6R,6aS)-4-(3-fluorobenzoyl)-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 129554425
5-[2-[(4-Fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 45191639
1-(Oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 45226370
5-[2-[(2-Fluorophenyl)methylamino]ethyl]-1-(oxolan-3-yl)pyrrolidin-2-one
CID 45929858
(3aR,6R,6aS)-4-[(2,3-difluorophenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 125245502
(3aR,6R,6aS)-4-[(3-fluoro-2-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 134690442
1-[(3aR,6S,6aS)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-2-[[2,2,2-trifluoro-1-[3-(2-fluorophenyl)phenyl]ethyl]amino]pentan-1-one
CID 143391276
1-(4-acetyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbonyl)-4-fluoro-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140335
(5S,7aR)-5-(3-fluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
CID 168245111
(5S,7aR)-5-(3-fluoro-5-methylphenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
CID 168245300
(5S,7aR)-5-(2-fluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
CID 168245694

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 134689605) is (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is Cc1ccc(F)c(CN2C[C@@H](C(=O)NCC3CCOCC3)[C@@H]3OCC[C@H]32)c1.
What is the InChIKey of (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is GGSAMWLMHBVDIS-RLLQIKCJSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-14-2-3-18(22)16(10-14)12-24-13-17(20-19(24)6-9-27-20)21(25)23-11-15-4-7-26-8-5-15/h2-3,10,15,17,19-20H,4-9,11-13H2,1H3,(H,23,25)/t17-,19-,20+/m1/s1.
What are the key properties of (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-4-[(2-fluoro-5-methylphenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 134689605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).