2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid

C14H19NO5 — CID 119179061

IUPAC2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C14H19NO5/c1-4-19-12-7-10(14(18)15-9(2)3)5-6-11(12)20-8-13(16)17/h5-7,9H,4,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVTUTZKNIFJMKJR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.69
Rot. Bonds7

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

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid (PubChem CID 119179061) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
PubChem CID119179061
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C14H19NO5/c1-4-19-12-7-10(14(18)15-9(2)3)5-6-11(12)20-8-13(16)17/h5-7,9H,4,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVTUTZKNIFJMKJR-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185987
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 119182029
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid (CID 119179061) is 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid is CCOc1cc(C(=O)NC(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid?
The InChIKey is VTUTZKNIFJMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-19-12-7-10(14(18)15-9(2)3)5-6-11(12)20-8-13(16)17/h5-7,9H,4,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 119179061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).