2-[3-(phenylcarbamoylamino)phenoxy]acetic acid

C15H14N2O4 — CID 61057845

IUPAC2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H14N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyXXOQVPJIDNTYNN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.79
Rot. Bonds5

About 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid

2-[3-(phenylcarbamoylamino)phenoxy]acetic acid (PubChem CID 61057845) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
PubChem CID61057845
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H14N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyXXOQVPJIDNTYNN-UHFFFAOYSA-N
XLogP2.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
CID 61196286
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid (CID 61057845) is 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is XXOQVPJIDNTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid?
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(phenylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 61057845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).