N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide

C28H27NO4 — CID 42704323

IUPACN-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1cc(CN(Cc2ccco2)C(=O)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H27NO4/c1-31-27-17-24(14-15-26(27)33-21-23-11-6-3-7-12-23)19-29(20-25-13-8-16-32-25)28(30)18-22-9-4-2-5-10-22/h2-17H,18-21H2,1H3
InChIKeyGBXDGESAEAHWGJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.64
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide

N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 42704323) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
PubChem CID42704323
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC NameN-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1cc(CN(Cc2ccco2)C(=O)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H27NO4/c1-31-27-17-24(14-15-26(27)33-21-23-11-6-3-7-12-23)19-29(20-25-13-8-16-32-25)28(30)18-22-9-4-2-5-10-22/h2-17H,18-21H2,1H3
InChIKeyGBXDGESAEAHWGJ-UHFFFAOYSA-N
XLogP5.64
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24574981
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3644955
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42701738
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]ethyl]carbamate
CID 11713374
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
[5-[[furan-2-ylmethyl(phenylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 46123678
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide (CID 42704323) is N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide is COc1cc(CN(Cc2ccco2)C(=O)Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is GBXDGESAEAHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-31-27-17-24(14-15-26(27)33-21-23-11-6-3-7-12-23)19-29(20-25-13-8-16-32-25)28(30)18-22-9-4-2-5-10-22/h2-17H,18-21H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 441.53 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 42704323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).