2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide

C25H32N2O6 — CID 143860783

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide
SMILESC1CC2OCCC2O1.CNC(=O)c1ccccc1Oc1cccc(OC)c1.NC(=O)C1CC1
InChIInChI=1S/C15H15NO3.C6H10O2.C4H7NO/c1-16-15(17)13-8-3-4-9-14(13)19-12-7-5-6-11(10-12)18-2;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h3-10H,1-2H3,(H,16,17);5-6H,1-4H2;3H,1-2H2,(H2,5,6)
InChIKeyFRVXCOCDWWXDMQ-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.29
Rot. Bonds5

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide (PubChem CID 143860783) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide
PubChem CID143860783
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide
SMILESC1CC2OCCC2O1.CNC(=O)c1ccccc1Oc1cccc(OC)c1.NC(=O)C1CC1
InChIInChI=1S/C15H15NO3.C6H10O2.C4H7NO/c1-16-15(17)13-8-3-4-9-14(13)19-12-7-5-6-11(10-12)18-2;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h3-10H,1-2H3,(H,16,17);5-6H,1-4H2;3H,1-2H2,(H2,5,6)
InChIKeyFRVXCOCDWWXDMQ-UHFFFAOYSA-N
XLogP3.29
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide (CID 143860783) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide is C1CC2OCCC2O1.CNC(=O)c1ccccc1Oc1cccc(OC)c1.NC(=O)C1CC1.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide?
The InChIKey is FRVXCOCDWWXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.C6H10O2.C4H7NO/c1-16-15(17)13-8-3-4-9-14(13)19-12-7-5-6-11(10-12)18-2;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h3-10H,1-2H3,(H,16,17);5-6H,1-4H2;3H,1-2H2,(H2,5,6).
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;2-(3-methoxyphenoxy)-N-methylbenzamide is sourced from PubChem (CID 143860783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).