2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid

C15H22N2O4 — CID 63772899

IUPAC2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCCCCN(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-4-5-10-17(2)15(20)16-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRIRUYDMOJDZJMD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds8

About 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid

2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 63772899) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID63772899
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCCCCN(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-4-5-10-17(2)15(20)16-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRIRUYDMOJDZJMD-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid
CID 63771357
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid (CID 63772899) is 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid is CCCCCN(C)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is RIRUYDMOJDZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-4-5-10-17(2)15(20)16-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid?
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63772899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).