N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide

C15H18ClNO4 — CID 155909570

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C15H18ClNO4/c16-10-3-1-2-9(6-10)4-5-13(19)17-11-7-20-15-12(18)8-21-14(11)15/h1-3,6,11-12,14-15,18H,4-5,7-8H2,(H,17,19)/t11-,12-,14-,15-/m1/s1
InChIKeyOIWQXKQBEBHVPF-QHSBEEBCSA-N
MW311.76 g/mol
LogP0.92
Rot. Bonds4

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide (PubChem CID 155909570) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide
PubChem CID155909570
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C15H18ClNO4/c16-10-3-1-2-9(6-10)4-5-13(19)17-11-7-20-15-12(18)8-21-14(11)15/h1-3,6,11-12,14-15,18H,4-5,7-8H2,(H,17,19)/t11-,12-,14-,15-/m1/s1
InChIKeyOIWQXKQBEBHVPF-QHSBEEBCSA-N
XLogP0.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide with MolForge

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Related Compounds

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 155917808
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3-(3-chlorophenyl)-N-phenylpropanamide
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CID 28713453
N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-chlorophenyl)propanamide;formic acid
CID 154921991

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide (CID 155909570) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide is O=C(CCc1cccc(Cl)c1)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide?
The InChIKey is OIWQXKQBEBHVPF-QHSBEEBCSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-10-3-1-2-9(6-10)4-5-13(19)17-11-7-20-15-12(18)8-21-14(11)15/h1-3,6,11-12,14-15,18H,4-5,7-8H2,(H,17,19)/t11-,12-,14-,15-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide has a molecular weight of 311.76 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 155909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).