2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

C27H28N2O5 — CID 24574981

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(Cc2ccco2)Cc2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C27H28N2O5/c1-31-26-15-22(11-12-25(26)34-20-21-7-3-2-4-8-21)16-28-27(30)19-29(17-23-9-5-13-32-23)18-24-10-6-14-33-24/h2-15H,16-20H2,1H3,(H,28,30)
InChIKeySQFUAVNSJFXCBJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.78
Rot. Bonds12

About 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 24574981) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID24574981
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(Cc2ccco2)Cc2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C27H28N2O5/c1-31-26-15-22(11-12-25(26)34-20-21-7-3-2-4-8-21)16-28-27(30)19-29(17-23-9-5-13-32-23)18-24-10-6-14-33-24/h2-15H,16-20H2,1H3,(H,28,30)
InChIKeySQFUAVNSJFXCBJ-UHFFFAOYSA-N
XLogP4.78
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704323
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8922456
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810379

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (CID 24574981) is 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(Cc2ccco2)Cc2ccco2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is SQFUAVNSJFXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-31-26-15-22(11-12-25(26)34-20-21-7-3-2-4-8-21)16-28-27(30)19-29(17-23-9-5-13-32-23)18-24-10-6-14-33-24/h2-15H,16-20H2,1H3,(H,28,30).
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24574981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).