2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide

C28H38N2O6 — CID 25359572

IUPAC2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NC[C@]2(C)C[C@H](NC(=O)COc3ccc(OC)cc3)CC(C)(C)C2)cc1
InChIInChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)17-36-24-12-8-22(34-5)9-13-24)15-28(3,18-27)19-29-25(31)16-35-23-10-6-21(33-4)7-11-23/h6-13,20H,14-19H2,1-5H3,(H,29,31)(H,30,32)/t20-,28-/m1/s1
InChIKeyLPXCFQYPADGOET-PIIWDFAUSA-N
MW498.62 g/mol
LogP3.98
Rot. Bonds11

About 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide

2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide (PubChem CID 25359572) has the molecular formula C28H38N2O6 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
PubChem CID25359572
Molecular FormulaC28H38N2O6
Molecular Weight498.62 g/mol
Exact Mass498.27
IUPAC Name2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NC[C@]2(C)C[C@H](NC(=O)COc3ccc(OC)cc3)CC(C)(C)C2)cc1
InChIInChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)17-36-24-12-8-22(34-5)9-13-24)15-28(3,18-27)19-29-25(31)16-35-23-10-6-21(33-4)7-11-23/h6-13,20H,14-19H2,1-5H3,(H,29,31)(H,30,32)/t20-,28-/m1/s1
InChIKeyLPXCFQYPADGOET-PIIWDFAUSA-N
XLogP3.98
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
CID 42564040
2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
CID 98389050
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 4085984
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
2-[[1,3,3-trimethyl-5-(2-phenoxyethoxycarbonylamino)cyclohexyl]methylcarbamoylamino]acetic acid
CID 118911933
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide (CID 25359572) is 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide is COc1ccc(OCC(=O)NC[C@]2(C)C[C@H](NC(=O)COc3ccc(OC)cc3)CC(C)(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide?
The InChIKey is LPXCFQYPADGOET-PIIWDFAUSA-N. The full InChI is InChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)17-36-24-12-8-22(34-5)9-13-24)15-28(3,18-27)19-29-25(31)16-35-23-10-6-21(33-4)7-11-23/h6-13,20H,14-19H2,1-5H3,(H,29,31)(H,30,32)/t20-,28-/m1/s1.
What are the key properties of 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide?
2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide has a molecular weight of 498.62 g/mol, XLogP of 3.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 25359572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).