2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid

C14H20N2O5 — CID 63747383

IUPAC2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
SMILESCOCCCCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-20-9-5-4-8-15-14(19)16-11-6-2-3-7-12(11)21-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySWYFJOSOKOAFLQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.70
Rot. Bonds9

About 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid

2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63747383) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
PubChem CID63747383
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
SMILESCOCCCCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-20-9-5-4-8-15-14(19)16-11-6-2-3-7-12(11)21-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySWYFJOSOKOAFLQ-UHFFFAOYSA-N
XLogP1.70
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid (CID 63747383) is 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid is COCCCCNC(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is SWYFJOSOKOAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-9-5-4-8-15-14(19)16-11-6-2-3-7-12(11)21-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid?
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63747383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).