1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid

C18H25NO5 — CID 120539358

IUPAC1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCOCCOc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO5/c1-19(18(17(21)22)10-4-3-5-11-18)16(20)14-6-8-15(9-7-14)24-13-12-23-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,22)
InChIKeyVMPDZBCYPZGNDC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.57
Rot. Bonds7

About 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539358) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539358
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCOCCOc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO5/c1-19(18(17(21)22)10-4-3-5-11-18)16(20)14-6-8-15(9-7-14)24-13-12-23-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,22)
InChIKeyVMPDZBCYPZGNDC-UHFFFAOYSA-N
XLogP2.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic 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

1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539762
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
1-[[2-(4-fluorophenoxy)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540025
1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539698
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539358) is 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid is COCCOc1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VMPDZBCYPZGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-19(18(17(21)22)10-4-3-5-11-18)16(20)14-6-8-15(9-7-14)24-13-12-23-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,22).
What are the key properties of 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).