methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate

C18H25NO5 — CID 46515245

IUPACmethyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)Oc2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C18H25NO5/c1-13(24-15-9-7-14(22-2)8-10-15)16(20)19-18(17(21)23-3)11-5-4-6-12-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyGNIPUSPPFMDIOR-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.45
Rot. Bonds6

About methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate

methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 46515245) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
PubChem CID46515245
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)Oc2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C18H25NO5/c1-13(24-15-9-7-14(22-2)8-10-15)16(20)19-18(17(21)23-3)11-5-4-6-12-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyGNIPUSPPFMDIOR-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55572088
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
CID 46450947
methyl 1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55775399
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide
CID 55973737

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate (CID 46515245) is methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C(C)Oc2ccc(OC)cc2)CCCCC1.
What is the InChIKey of methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is GNIPUSPPFMDIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(24-15-9-7-14(22-2)8-10-15)16(20)19-18(17(21)23-3)11-5-4-6-12-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20).
What are the key properties of methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate?
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 46515245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).