4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C18H26N2O6 — CID 122006870

IUPAC4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(OC)cc(OCCNC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H26N2O6/c1-24-14-9-15(25-2)11-16(10-14)26-8-7-19-18(23)20-13-5-3-12(4-6-13)17(21)22/h9-13H,3-8H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySVQFGEPFTMJEGV-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.03
Rot. Bonds8

About 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122006870) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122006870
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(OC)cc(OCCNC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H26N2O6/c1-24-14-9-15(25-2)11-16(10-14)26-8-7-19-18(23)20-13-5-3-12(4-6-13)17(21)22/h9-13H,3-8H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySVQFGEPFTMJEGV-UHFFFAOYSA-N
XLogP2.03
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122006870) is 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is COc1cc(OC)cc(OCCNC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SVQFGEPFTMJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-24-14-9-15(25-2)11-16(10-14)26-8-7-19-18(23)20-13-5-3-12(4-6-13)17(21)22/h9-13H,3-8H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 366.41 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122006870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).