2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid

C12H16N2O4 — CID 61194487

IUPAC2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCN(C)C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-3-14(2)12(17)13-9-5-4-6-10(7-9)18-8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGSGGOTUTEZRTSV-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.63
Rot. Bonds5

About 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid

2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 61194487) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID61194487
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCN(C)C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-3-14(2)12(17)13-9-5-4-6-10(7-9)18-8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGSGGOTUTEZRTSV-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194737
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (CID 61194487) is 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is CCN(C)C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is GSGGOTUTEZRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-14(2)12(17)13-9-5-4-6-10(7-9)18-8-11(15)16/h4-7H,3,8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 61194487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).