5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid

C18H25NO6 — CID 126499062

IUPAC5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid
SMILESCOCCOCOc1ccc(N(C=O)C2CCCCC2)cc1C(=O)O
InChIInChI=1S/C18H25NO6/c1-23-9-10-24-13-25-17-8-7-15(11-16(17)18(21)22)19(12-20)14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,21,22)
InChIKeyGVORAZALPJRKPC-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.68
Rot. Bonds10

About 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid

5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid (PubChem CID 126499062) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid.

Molecular Properties

Compound Name5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid
PubChem CID126499062
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid
SMILESCOCCOCOc1ccc(N(C=O)C2CCCCC2)cc1C(=O)O
InChIInChI=1S/C18H25NO6/c1-23-9-10-24-13-25-17-8-7-15(11-16(17)18(21)22)19(12-20)14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,21,22)
InChIKeyGVORAZALPJRKPC-UHFFFAOYSA-N
XLogP2.68
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-methyl-N-(4-methylphenyl)anilino)benzoic acid
CID 90352014
5-[cyclohexyl-[4-[2-fluoro-6-(2-methoxyethoxy)phenyl]-5-oxotetrazole-1-carbonyl]amino]-2-(2-methoxyethoxy)benzoic acid
CID 58501933
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
2-[2-(2-methoxyethoxy)ethoxy]-5-(trifluoromethyl)benzoic acid
CID 104560463
4-[formyl-[(2E)-2-(3-hydroxypropylidene)cyclohexyl]amino]-2-(2-methoxyethoxy)benzamide
CID 89288679
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
2-[cyclopentyl(ethyl)amino]-3,4,5-trimethoxybenzoic acid
CID 88822201
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde
CID 22237579
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid?
The IUPAC name of 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid (CID 126499062) is 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid.
What is the SMILES notation for 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid?
The canonical SMILES for 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid is COCCOCOc1ccc(N(C=O)C2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid?
The InChIKey is GVORAZALPJRKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-23-9-10-24-13-25-17-8-7-15(11-16(17)18(21)22)19(12-20)14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,21,22).
What are the key properties of 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid?
5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid has a molecular weight of 351.40 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(formyl)amino]-2-(2-methoxyethoxymethoxy)benzoic acid is sourced from PubChem (CID 126499062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).