methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate

C18H25NO5 — CID 171682544

IUPACmethyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate
SMILESCOC(=O)CC(NC(=O)Oc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO5/c1-22-14-8-10-15(11-9-14)24-18(21)19-16(12-17(20)23-2)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyZWVFJBHOTJGAMD-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.30
Rot. Bonds6

About methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate

methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate (PubChem CID 171682544) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate
PubChem CID171682544
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate
SMILESCOC(=O)CC(NC(=O)Oc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO5/c1-22-14-8-10-15(11-9-14)24-18(21)19-16(12-17(20)23-2)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyZWVFJBHOTJGAMD-UHFFFAOYSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate?
The IUPAC name of methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate (CID 171682544) is methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate is COC(=O)CC(NC(=O)Oc1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate?
The InChIKey is ZWVFJBHOTJGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-14-8-10-15(11-9-14)24-18(21)19-16(12-17(20)23-2)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate?
methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate has a molecular weight of 335.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate is sourced from PubChem (CID 171682544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).