2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

C25H28N2O4 — CID 9058399

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O4/c1-27(16-20-9-14-23(29-2)24(15-20)30-3)17-25(28)26-21-10-12-22(13-11-21)31-18-19-7-5-4-6-8-19/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyZCWXLTHOIGPRRF-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.35
Rot. Bonds10

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 9058399) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID9058399
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O4/c1-27(16-20-9-14-23(29-2)24(15-20)30-3)17-25(28)26-21-10-12-22(13-11-21)31-18-19-7-5-4-6-8-19/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyZCWXLTHOIGPRRF-UHFFFAOYSA-N
XLogP4.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 2552725
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
N-(2,3-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434477
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 43899643
2-(2-methoxy-4-methylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 2095965

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 9058399) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is ZCWXLTHOIGPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-27(16-20-9-14-23(29-2)24(15-20)30-3)17-25(28)26-21-10-12-22(13-11-21)31-18-19-7-5-4-6-8-19/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 9058399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).