methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

C20H29NO4 — CID 108745280

IUPACmethyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C20H29NO4/c1-14(2)15-8-6-9-17(11-15)25-13-19(22)21-12-16-7-4-5-10-18(16)20(23)24-3/h6,8-9,11,14,16,18H,4-5,7,10,12-13H2,1-3H3,(H,21,22)
InChIKeyXLWLNTGGCUQUEN-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.28
Rot. Bonds7

About methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745280) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745280
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Namemethyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C20H29NO4/c1-14(2)15-8-6-9-17(11-15)25-13-19(22)21-12-16-7-4-5-10-18(16)20(23)24-3/h6,8-9,11,14,16,18H,4-5,7,10,12-13H2,1-3H3,(H,21,22)
InChIKeyXLWLNTGGCUQUEN-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767585
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
N-[[2-[[(2-phenoxyacetyl)amino]methyl]cyclohexyl]methyl]propanamide
CID 159510445
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
5-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]furan-3-carboxamide
CID 155950157
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
methyl 2-[[(5-oxo-5-phenylpentanoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745297

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (CID 108745280) is methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is XLWLNTGGCUQUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(2)15-8-6-9-17(11-15)25-13-19(22)21-12-16-7-4-5-10-18(16)20(23)24-3/h6,8-9,11,14,16,18H,4-5,7,10,12-13H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 347.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).