N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen

C23H30N2O5 — CID 143860821

IUPACN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccc(Oc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H19NO4.C4H7NO.2H2/c21-19(20-16-12-23-17-10-11-22-18(16)17)13-6-8-15(9-7-13)24-14-4-2-1-3-5-14;5-4(6)3-1-2-3;;/h1-9,16-18H,10-12H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t16-,17+,18+;;;/m0.../s1
InChIKeyPSOXBZHFRAEWAJ-JWIZQWDQSA-N
MW414.50 g/mol
LogP3.14
Rot. Bonds5

About N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen (PubChem CID 143860821) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
PubChem CID143860821
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccc(Oc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H19NO4.C4H7NO.2H2/c21-19(20-16-12-23-17-10-11-22-18(16)17)13-6-8-15(9-7-13)24-14-4-2-1-3-5-14;5-4(6)3-1-2-3;;/h1-9,16-18H,10-12H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t16-,17+,18+;;;/m0.../s1
InChIKeyPSOXBZHFRAEWAJ-JWIZQWDQSA-N
XLogP3.14
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen with MolForge

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Related Compounds

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-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860762
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860799
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-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
CID 7831592
N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 163547316
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428
2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 70968802
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen (CID 143860821) is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen is NC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccc(Oc2ccccc2)cc1.[H][H].[H][H].
What is the InChIKey of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is PSOXBZHFRAEWAJ-JWIZQWDQSA-N. The full InChI is InChI=1S/C19H19NO4.C4H7NO.2H2/c21-19(20-16-12-23-17-10-11-22-18(16)17)13-6-8-15(9-7-13)24-14-4-2-1-3-5-14;5-4(6)3-1-2-3;;/h1-9,16-18H,10-12H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t16-,17+,18+;;;/m0.../s1.
What are the key properties of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 414.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 143860821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).