N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

C21H25NO3 — CID 118387971

IUPACN-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCN(Cc1ccccc1)C1COC2C(OCc3ccccc3)COC21
InChIInChI=1S/C21H25NO3/c1-22(12-16-8-4-2-5-9-16)18-14-24-21-19(15-25-20(18)21)23-13-17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
InChIKeyBHVWYPXTNBIHGW-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.87
Rot. Bonds6

About N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (PubChem CID 118387971) has the molecular formula C21H25NO3 and a molecular weight of 339.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
PubChem CID118387971
Molecular FormulaC21H25NO3
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC NameN-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCN(Cc1ccccc1)C1COC2C(OCc3ccccc3)COC21
InChIInChI=1S/C21H25NO3/c1-22(12-16-8-4-2-5-9-16)18-14-24-21-19(15-25-20(18)21)23-13-17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
InChIKeyBHVWYPXTNBIHGW-UHFFFAOYSA-N
XLogP2.87
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The IUPAC name of N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (CID 118387971) is N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The canonical SMILES for N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is CN(Cc1ccccc1)C1COC2C(OCc3ccccc3)COC21.
What is the InChIKey of N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The InChIKey is BHVWYPXTNBIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(12-16-8-4-2-5-9-16)18-14-24-21-19(15-25-20(18)21)23-13-17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine has a molecular weight of 339.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is sourced from PubChem (CID 118387971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).