2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid

C15H21NO5 — CID 119179235

IUPAC2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C15H21NO5/c1-4-20-13-7-11(15(19)16-8-10(2)3)5-6-12(13)21-9-14(17)18/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyIXZGQZMLBGUDMR-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid

2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid (PubChem CID 119179235) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
PubChem CID119179235
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C15H21NO5/c1-4-20-13-7-11(15(19)16-8-10(2)3)5-6-12(13)21-9-14(17)18/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyIXZGQZMLBGUDMR-UHFFFAOYSA-N
XLogP1.93
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid (CID 119179235) is 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid is CCOc1cc(C(=O)NCC(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid?
The InChIKey is IXZGQZMLBGUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-20-13-7-11(15(19)16-8-10(2)3)5-6-12(13)21-9-14(17)18/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 119179235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).