2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid

C18H25NO5 — CID 119179211

IUPAC2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC2CCCCC2)ccc1OCC(=O)O
InChIInChI=1S/C18H25NO5/c1-2-23-16-10-14(8-9-15(16)24-12-17(20)21)18(22)19-11-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyYAVGHMZOIPPERM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.86
Rot. Bonds8

About 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid

2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid (PubChem CID 119179211) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
PubChem CID119179211
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC2CCCCC2)ccc1OCC(=O)O
InChIInChI=1S/C18H25NO5/c1-2-23-16-10-14(8-9-15(16)24-12-17(20)21)18(22)19-11-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyYAVGHMZOIPPERM-UHFFFAOYSA-N
XLogP2.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
2-[4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125153084
2-[4-[(2-tert-butyloxan-3-yl)methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119186015
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119180117
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid (CID 119179211) is 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)NCC2CCCCC2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid?
The InChIKey is YAVGHMZOIPPERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-2-23-16-10-14(8-9-15(16)24-12-17(20)21)18(22)19-11-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid?
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119179211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).