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

C15H20N2O4 — CID 63772383

IUPAC2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-17(9-11-3-2-4-11)15(20)16-12-5-7-13(8-6-12)21-10-14(18)19/h5-8,11H,2-4,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXJORARYKPSOCQL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.41
Rot. Bonds6

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

2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 63772383) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID63772383
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-17(9-11-3-2-4-11)15(20)16-12-5-7-13(8-6-12)21-10-14(18)19/h5-8,11H,2-4,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXJORARYKPSOCQL-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63747082
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
3-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 76950847
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid
CID 63771357
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (CID 63772383) is 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is CN(CC1CCC1)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is XJORARYKPSOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(9-11-3-2-4-11)15(20)16-12-5-7-13(8-6-12)21-10-14(18)19/h5-8,11H,2-4,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63772383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).