2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid

C17H19N3O5 — CID 119182002

IUPAC2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCc2ccnc(C)n2)ccc1OCC(=O)O
InChIInChI=1S/C17H19N3O5/c1-3-24-15-8-12(4-5-14(15)25-10-16(21)22)17(23)19-9-13-6-7-18-11(2)20-13/h4-8H,3,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyZXGRAVHDAOZKPS-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.58
Rot. Bonds8

About 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119182002) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
PubChem CID119182002
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCc2ccnc(C)n2)ccc1OCC(=O)O
InChIInChI=1S/C17H19N3O5/c1-3-24-15-8-12(4-5-14(15)25-10-16(21)22)17(23)19-9-13-6-7-18-11(2)20-13/h4-8H,3,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyZXGRAVHDAOZKPS-UHFFFAOYSA-N
XLogP1.58
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061
2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
CID 119182333
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
CID 71909889
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119186959
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid (CID 119182002) is 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCc2ccnc(C)n2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is ZXGRAVHDAOZKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-24-15-8-12(4-5-14(15)25-10-16(21)22)17(23)19-9-13-6-7-18-11(2)20-13/h4-8H,3,9-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).