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

C44H58N2O10 — CID 161282703

IUPACN-[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
SMILESCC(C)COc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1.CCC(C)Oc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1
InChIInChI=1S/2C22H29NO5/c1-13(2)10-26-17-5-3-4-15(8-17)19(24)9-16-11-27-21-18(12-28-20(16)21)23-22(25)14-6-7-14;1-3-13(2)28-17-6-4-5-15(9-17)19(24)10-16-11-26-21-18(12-27-20(16)21)23-22(25)14-7-8-14/h3-5,8,13-14,16,18,20-21H,6-7,9-12H2,1-2H3,(H,23,25);4-6,9,13-14,16,18,20-21H,3,7-8,10-12H2,1-2H3,(H,23,25)
InChIKeyVFHMFOPPKRSRAR-UHFFFAOYSA-N
MW774.95 g/mol
LogP5.35
Rot. Bonds16

About 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

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 (PubChem CID 161282703) has the molecular formula C44H58N2O10 and a molecular weight of 774.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161282703
Molecular FormulaC44H58N2O10
Molecular Weight774.95 g/mol
Exact Mass774.41
IUPAC NameN-[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
SMILESCC(C)COc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1.CCC(C)Oc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1
InChIInChI=1S/2C22H29NO5/c1-13(2)10-26-17-5-3-4-15(8-17)19(24)9-16-11-27-21-18(12-28-20(16)21)23-22(25)14-6-7-14;1-3-13(2)28-17-6-4-5-15(9-17)19(24)10-16-11-26-21-18(12-27-20(16)21)23-22(25)14-7-8-14/h3-5,8,13-14,16,18,20-21H,6-7,9-12H2,1-2H3,(H,23,25);4-6,9,13-14,16,18,20-21H,3,7-8,10-12H2,1-2H3,(H,23,25)
InChIKeyVFHMFOPPKRSRAR-UHFFFAOYSA-N
XLogP5.35
TPSA147.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.95
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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-[(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
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide
CID 83201941
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 162082235
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17149811
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)COc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1.CCC(C)Oc1cccc(C(=O)CC2COC3C(NC(=O)C4CC4)COC23)c1.
What is the InChIKey of 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?
The InChIKey is VFHMFOPPKRSRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H29NO5/c1-13(2)10-26-17-5-3-4-15(8-17)19(24)9-16-11-27-21-18(12-28-20(16)21)23-22(25)14-6-7-14;1-3-13(2)28-17-6-4-5-15(9-17)19(24)10-16-11-26-21-18(12-27-20(16)21)23-22(25)14-7-8-14/h3-5,8,13-14,16,18,20-21H,6-7,9-12H2,1-2H3,(H,23,25);4-6,9,13-14,16,18,20-21H,3,7-8,10-12H2,1-2H3,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 774.95 g/mol, XLogP of 5.35, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161282703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).