N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide

C22H23NO5 — CID 159028558

IUPACN-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@@H]2[C@@H](CC(=O)c3cccc(Oc4ccccc4)c3)CO[C@@H]21
InChIInChI=1S/C22H23NO5/c1-14(24)23-19-13-27-21-16(12-26-22(19)21)11-20(25)15-6-5-9-18(10-15)28-17-7-3-2-4-8-17/h2-10,16,19,21-22H,11-13H2,1H3,(H,23,24)/t16-,19-,21+,22+/m0/s1
InChIKeyJUOVSORISDEDDV-NTSGDEEZSA-N
MW381.43 g/mol
LogP2.97
Rot. Bonds6

About N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide

N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide (PubChem CID 159028558) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
PubChem CID159028558
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@@H]2[C@@H](CC(=O)c3cccc(Oc4ccccc4)c3)CO[C@@H]21
InChIInChI=1S/C22H23NO5/c1-14(24)23-19-13-27-21-16(12-26-22(19)21)11-20(25)15-6-5-9-18(10-15)28-17-7-3-2-4-8-17/h2-10,16,19,21-22H,11-13H2,1H3,(H,23,24)/t16-,19-,21+,22+/m0/s1
InChIKeyJUOVSORISDEDDV-NTSGDEEZSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide with MolForge

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Related Compounds

N-[(3S,3aR,6S,6aR)-3-[2-[3-(2-methoxyphenoxy)phenyl]-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 159364300
N-[3-[2-(3-butan-2-yloxyphenyl)-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide;N-[3-[2-[3-(2-methylpropoxy)phenyl]-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 161282703
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
5-oxo-5-(3-phenoxyphenyl)pentanoic acid
CID 11659220
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 158992215
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide (CID 159028558) is N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide is CC(=O)N[C@H]1CO[C@@H]2[C@@H](CC(=O)c3cccc(Oc4ccccc4)c3)CO[C@@H]21.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
The InChIKey is JUOVSORISDEDDV-NTSGDEEZSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(24)23-19-13-27-21-16(12-26-22(19)21)11-20(25)15-6-5-9-18(10-15)28-17-7-3-2-4-8-17/h2-10,16,19,21-22H,11-13H2,1H3,(H,23,24)/t16-,19-,21+,22+/m0/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide?
N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide is sourced from PubChem (CID 159028558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).