methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

C22H33NO4 — CID 108767585

IUPACmethyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C22H33NO4/c1-15-10-11-19(18(12-15)22(2,3)4)27-14-20(24)23-13-16-8-6-7-9-17(16)21(25)26-5/h10-12,16-17H,6-9,13-14H2,1-5H3,(H,23,24)
InChIKeyYTBYMRKCPKRBFM-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.77
Rot. Bonds6

About methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108767585) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID108767585
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Namemethyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C22H33NO4/c1-15-10-11-19(18(12-15)22(2,3)4)27-14-20(24)23-13-16-8-6-7-9-17(16)21(25)26-5/h10-12,16-17H,6-9,13-14H2,1-5H3,(H,23,24)
InChIKeyYTBYMRKCPKRBFM-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767599
trans-(1S,2R)-2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755772
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
2-(2-tert-butyl-4-methylphenoxy)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]acetamide
CID 108922038
methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745280
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82909707
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108541208
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108572464
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (CID 108767585) is methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is YTBYMRKCPKRBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-15-10-11-19(18(12-15)22(2,3)4)27-14-20(24)23-13-16-8-6-7-9-17(16)21(25)26-5/h10-12,16-17H,6-9,13-14H2,1-5H3,(H,23,24).
What are the key properties of methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 375.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108767585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).