2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid

C17H22N2O6 — CID 119185113

IUPAC2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2CCC(=O)N(C)C2)ccc1OCC(=O)O
InChIInChI=1S/C17H22N2O6/c1-3-24-14-8-11(4-6-13(14)25-10-16(21)22)17(23)18-12-5-7-15(20)19(2)9-12/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyXQYWYOMBXQTBHK-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 119185113) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
PubChem CID119185113
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2CCC(=O)N(C)C2)ccc1OCC(=O)O
InChIInChI=1S/C17H22N2O6/c1-3-24-14-8-11(4-6-13(14)25-10-16(21)22)17(23)18-12-5-7-15(20)19(2)9-12/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyXQYWYOMBXQTBHK-UHFFFAOYSA-N
XLogP0.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125148297
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264
2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125131613
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
2-[2-ethoxy-4-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenoxy]acetic acid
CID 119179623
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid (CID 119185113) is 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NC2CCC(=O)N(C)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is XQYWYOMBXQTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-24-14-8-11(4-6-13(14)25-10-16(21)22)17(23)18-12-5-7-15(20)19(2)9-12/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 0.90, 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-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119185113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).