2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid

C22H25NO4 — CID 22687432

IUPAC2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO4/c24-21(25)14-16-6-8-17(9-7-16)15-27-20-12-10-18(11-13-20)22(26)23-19-4-2-1-3-5-19/h6-13,19H,1-5,14-15H2,(H,23,26)(H,24,25)
InChIKeyRBSOHZLCNQEREO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.96
Rot. Bonds7

About 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid

2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid (PubChem CID 22687432) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid
PubChem CID22687432
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO4/c24-21(25)14-16-6-8-17(9-7-16)15-27-20-12-10-18(11-13-20)22(26)23-19-4-2-1-3-5-19/h6-13,19H,1-5,14-15H2,(H,23,26)(H,24,25)
InChIKeyRBSOHZLCNQEREO-UHFFFAOYSA-N
XLogP3.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
4-[(2-cyanophenyl)methoxy]-N-cyclopentylbenzamide
CID 39717917
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid (CID 22687432) is 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(COc2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid?
The InChIKey is RBSOHZLCNQEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(25)14-16-6-8-17(9-7-16)15-27-20-12-10-18(11-13-20)22(26)23-19-4-2-1-3-5-19/h6-13,19H,1-5,14-15H2,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid?
2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 22687432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).