N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide

C16H25ClN2O4 — CID 118477551

IUPACN-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OC[C@H](O)[C@H]21)C1CCCCC1
InChIInChI=1S/C16H25ClN2O4/c1-9(20)18-13(10-5-3-2-4-6-10)16(22)19-7-11(17)15-14(19)12(21)8-23-15/h10-15,21H,2-8H2,1H3,(H,18,20)/t11-,12-,13-,14+,15+/m0/s1
InChIKeyWDXROWHBSLWYMC-BTFPBAQTSA-N
MW344.84 g/mol
LogP0.65
Rot. Bonds3

About N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide

N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide (PubChem CID 118477551) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide
PubChem CID118477551
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OC[C@H](O)[C@H]21)C1CCCCC1
InChIInChI=1S/C16H25ClN2O4/c1-9(20)18-13(10-5-3-2-4-6-10)16(22)19-7-11(17)15-14(19)12(21)8-23-15/h10-15,21H,2-8H2,1H3,(H,18,20)/t11-,12-,13-,14+,15+/m0/s1
InChIKeyWDXROWHBSLWYMC-BTFPBAQTSA-N
XLogP0.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide?
The IUPAC name of N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide (CID 118477551) is N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide is CC(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OC[C@H](O)[C@H]21)C1CCCCC1.
What is the InChIKey of N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide?
The InChIKey is WDXROWHBSLWYMC-BTFPBAQTSA-N. The full InChI is InChI=1S/C16H25ClN2O4/c1-9(20)18-13(10-5-3-2-4-6-10)16(22)19-7-11(17)15-14(19)12(21)8-23-15/h10-15,21H,2-8H2,1H3,(H,18,20)/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide?
N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide has a molecular weight of 344.84 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3R,3aR,6S,6aS)-6-chloro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]acetamide is sourced from PubChem (CID 118477551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).