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

C25H27NO6 — CID 159364300

IUPACN-[(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
SMILESCOc1ccccc1Oc1cccc(C(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)c1
InChIInChI=1S/C25H27NO6/c1-29-21-7-2-3-8-22(21)32-18-6-4-5-16(11-18)20(27)12-17-13-30-24-19(14-31-23(17)24)26-25(28)15-9-10-15/h2-8,11,15,17,19,23-24H,9-10,12-14H2,1H3,(H,26,28)/t17-,19-,23+,24+/m0/s1
InChIKeyLIXWCDJKZXFCKD-BLCURXPKSA-N
MW437.49 g/mol
LogP3.37
Rot. Bonds8

About 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

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 (PubChem CID 159364300) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID159364300
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC NameN-[(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
SMILESCOc1ccccc1Oc1cccc(C(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)c1
InChIInChI=1S/C25H27NO6/c1-29-21-7-2-3-8-22(21)32-18-6-4-5-16(11-18)20(27)12-17-13-30-24-19(14-31-23(17)24)26-25(28)15-9-10-15/h2-8,11,15,17,19,23-24H,9-10,12-14H2,1H3,(H,26,28)/t17-,19-,23+,24+/m0/s1
InChIKeyLIXWCDJKZXFCKD-BLCURXPKSA-N
XLogP3.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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

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-[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)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(3-fluorophenoxy)benzamide;N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(3-methoxyphenoxy)benzamide;N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(2-methylphenoxy)benzamide;N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(4-methylphenoxy)benzamide;N-[6-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-pentylcyclohexane-1-carboxamide;N-[3-(2-cyclopropyl-2-oxoethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide
CID 158276405
N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 163547316
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-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860750
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-[6-(5-phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide
CID 73134436
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1Oc1cccc(C(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)c1.
What is the InChIKey of 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?
The InChIKey is LIXWCDJKZXFCKD-BLCURXPKSA-N. The full InChI is InChI=1S/C25H27NO6/c1-29-21-7-2-3-8-22(21)32-18-6-4-5-16(11-18)20(27)12-17-13-30-24-19(14-31-23(17)24)26-25(28)15-9-10-15/h2-8,11,15,17,19,23-24H,9-10,12-14H2,1H3,(H,26,28)/t17-,19-,23+,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 437.49 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159364300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).