2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid

C14H20N2O5 — CID 104763817

IUPAC2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
SMILESCC(C)OCCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-10(2)20-8-7-15-14(19)16-11-5-3-4-6-12(11)21-9-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFHPNJTSNPISWHS-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid

2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 104763817) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
PubChem CID104763817
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
SMILESCC(C)OCCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-10(2)20-8-7-15-14(19)16-11-5-3-4-6-12(11)21-9-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFHPNJTSNPISWHS-UHFFFAOYSA-N
XLogP1.70
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
5-fluoro-2-(2-propan-2-yloxyethylcarbamoylamino)benzoic acid
CID 104763722
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid (CID 104763817) is 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid is CC(C)OCCNC(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is FHPNJTSNPISWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(2)20-8-7-15-14(19)16-11-5-3-4-6-12(11)21-9-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid?
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 104763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).