2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid

C15H20N2O4 — CID 61057844

IUPAC2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,18,19)(H2,16,17,20)
InChIKeyLQSHJSAUJHMAPS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.60
Rot. Bonds5

About 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid

2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid (PubChem CID 61057844) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
PubChem CID61057844
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,18,19)(H2,16,17,20)
InChIKeyLQSHJSAUJHMAPS-UHFFFAOYSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
2-[3-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246952
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid (CID 61057844) is 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is LQSHJSAUJHMAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(19)10-21-13-8-4-7-12(9-13)17-15(20)16-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid?
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 61057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).