2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid

C14H14N2O5 — CID 61188088

IUPAC2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H14N2O5/c17-13(18)9-21-11-4-1-3-10(7-11)16-14(19)15-8-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyVHBQRMJLWQCIIB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.06
Rot. Bonds6

About 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid

2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 61188088) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID61188088
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H14N2O5/c17-13(18)9-21-11-4-1-3-10(7-11)16-14(19)15-8-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyVHBQRMJLWQCIIB-UHFFFAOYSA-N
XLogP2.06
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63244370
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
2-[3-(2-prop-2-enylsulfanylethylcarbamoylamino)phenoxy]acetic acid
CID 106430641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid (CID 61188088) is 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is VHBQRMJLWQCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c17-13(18)9-21-11-4-1-3-10(7-11)16-14(19)15-8-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid?
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 61188088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).