2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide

C31H32N2O6 — CID 133238575

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C(=O)NCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O6/c1-36-25-14-11-22(12-15-25)21-33(29(34)19-23-13-16-27(37-2)28(18-23)38-3)30(24-8-5-4-6-9-24)31(35)32-20-26-10-7-17-39-26/h4-18,30H,19-21H2,1-3H3,(H,32,35)
InChIKeyRLDDNFMRIKBHNV-UHFFFAOYSA-N
MW528.61 g/mol
LogP4.93
Rot. Bonds12

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 133238575) has the molecular formula C31H32N2O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID133238575
Molecular FormulaC31H32N2O6
Molecular Weight528.61 g/mol
Exact Mass528.23
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C(=O)NCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O6/c1-36-25-14-11-22(12-15-25)21-33(29(34)19-23-13-16-27(37-2)28(18-23)38-3)30(24-8-5-4-6-9-24)31(35)32-20-26-10-7-17-39-26/h4-18,30H,19-21H2,1-3H3,(H,32,35)
InChIKeyRLDDNFMRIKBHNV-UHFFFAOYSA-N
XLogP4.93
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316244
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238582
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
CID 133236926
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236927
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237484
N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25314716
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 133238575) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C(=O)NCc2ccco2)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is RLDDNFMRIKBHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O6/c1-36-25-14-11-22(12-15-25)21-33(29(34)19-23-13-16-27(37-2)28(18-23)38-3)30(24-8-5-4-6-9-24)31(35)32-20-26-10-7-17-39-26/h4-18,30H,19-21H2,1-3H3,(H,32,35).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 528.61 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 133238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).