2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid

C18H24N2O6 — CID 120550261

IUPAC2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCCCC2C(=O)NC)ccc1OCC(=O)O
InChIInChI=1S/C18H24N2O6/c1-3-25-15-10-12(7-8-14(15)26-11-16(21)22)18(24)20-9-5-4-6-13(20)17(23)19-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyLBOQDIKBAZILHF-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.29
Rot. Bonds7

About 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid

2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 120550261) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID120550261
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCCCC2C(=O)NC)ccc1OCC(=O)O
InChIInChI=1S/C18H24N2O6/c1-3-25-15-10-12(7-8-14(15)26-11-16(21)22)18(24)20-9-5-4-6-13(20)17(23)19-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyLBOQDIKBAZILHF-UHFFFAOYSA-N
XLogP1.29
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152075
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119180840
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544385
(2R)-1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125148741
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid (CID 120550261) is 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid is CCOc1cc(C(=O)N2CCCCC2C(=O)NC)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is LBOQDIKBAZILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-3-25-15-10-12(7-8-14(15)26-11-16(21)22)18(24)20-9-5-4-6-13(20)17(23)19-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 364.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 120550261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).