4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid

C18H25NO5 — CID 119229681

IUPAC4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCCOc1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO5/c1-23-10-3-11-24-16-5-2-4-14(12-16)17(20)19-15-8-6-13(7-9-15)18(21)22/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyTWDAOEVUWOYILD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.48
Rot. Bonds8

About 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229681) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229681
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCCOc1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO5/c1-23-10-3-11-24-16-5-2-4-14(12-16)17(20)19-15-8-6-13(7-9-15)18(21)22/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyTWDAOEVUWOYILD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-(3-methoxypropoxy)benzoyl]amino]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

3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-cyclohexyl-3-propoxybenzamide
CID 4960053
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
CID 60522738
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 119229681) is 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid is COCCCOc1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is TWDAOEVUWOYILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-23-10-3-11-24-16-5-2-4-14(12-16)17(20)19-15-8-6-13(7-9-15)18(21)22/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).