1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C17H23NO5 — CID 120544351

IUPAC1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OCC(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO5/c1-22-13-6-5-7-14(10-13)23-11-15(19)18-12-17(16(20)21)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyKGUFLSJSNFAJNF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.23
Rot. Bonds7

About 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544351) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544351
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OCC(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO5/c1-22-13-6-5-7-14(10-13)23-11-15(19)18-12-17(16(20)21)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyKGUFLSJSNFAJNF-UHFFFAOYSA-N
XLogP2.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541544
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544351) is 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is COc1cccc(OCC(=O)NCC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KGUFLSJSNFAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-13-6-5-7-14(10-13)23-11-15(19)18-12-17(16(20)21)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).