2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide

C26H34N2O4 — CID 71910234

IUPAC2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C1CCCCC1N(C)C(=O)Cc1ccccc1OC
InChIInChI=1S/C26H34N2O4/c1-27(25(29)17-19-11-5-9-15-23(19)31-3)21-13-7-8-14-22(21)28(2)26(30)18-20-12-6-10-16-24(20)32-4/h5-6,9-12,15-16,21-22H,7-8,13-14,17-18H2,1-4H3
InChIKeyQMCZCNXGXWOQOK-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.72
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide

2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide (PubChem CID 71910234) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
PubChem CID71910234
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C1CCCCC1N(C)C(=O)Cc1ccccc1OC
InChIInChI=1S/C26H34N2O4/c1-27(25(29)17-19-11-5-9-15-23(19)31-3)21-13-7-8-14-22(21)28(2)26(30)18-20-12-6-10-16-24(20)32-4/h5-6,9-12,15-16,21-22H,7-8,13-14,17-18H2,1-4H3
InChIKeyQMCZCNXGXWOQOK-UHFFFAOYSA-N
XLogP3.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008
N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 154878066
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 70604955
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
CID 102638052
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide (CID 71910234) is 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide is COc1ccccc1CC(=O)N(C)C1CCCCC1N(C)C(=O)Cc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide?
The InChIKey is QMCZCNXGXWOQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-27(25(29)17-19-11-5-9-15-23(19)31-3)21-13-7-8-14-22(21)28(2)26(30)18-20-12-6-10-16-24(20)32-4/h5-6,9-12,15-16,21-22H,7-8,13-14,17-18H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide?
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide has a molecular weight of 438.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 71910234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).