2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid

C14H18N2O5 — CID 43214810

IUPAC2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
SMILESCC(C)NC(=O)NC(=O)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(2)15-14(20)16-12(17)8-21-11-5-3-10(4-6-11)7-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyPUTKHEFTWMWEAL-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.93
Rot. Bonds6

About 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid

2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid (PubChem CID 43214810) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
PubChem CID43214810
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
SMILESCC(C)NC(=O)NC(=O)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(2)15-14(20)16-12(17)8-21-11-5-3-10(4-6-11)7-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyPUTKHEFTWMWEAL-UHFFFAOYSA-N
XLogP0.93
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
CID 7758905
2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 42933234
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-[4-[3-(methylcarbamoylamino)-3-oxopropoxy]phenyl]acetic acid
CID 43310268
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid (CID 43214810) is 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid is CC(C)NC(=O)NC(=O)COc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid?
The InChIKey is PUTKHEFTWMWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(2)15-14(20)16-12(17)8-21-11-5-3-10(4-6-11)7-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid?
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 43214810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).