3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid

C23H31NO5 — CID 163965442

IUPAC3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid
SMILESCC1=CC(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)C(C)O1
InChIInChI=1S/C23H31NO5/c1-15-14-20(16(2)28-15)22(17-6-4-3-5-7-17)29-19-10-8-18(9-11-19)23(27)24-13-12-21(25)26/h8-11,14,16-17,20,22H,3-7,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySLHIXOKPUZWJIW-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.16
Rot. Bonds8

About 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid

3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid (PubChem CID 163965442) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid
PubChem CID163965442
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid
SMILESCC1=CC(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)C(C)O1
InChIInChI=1S/C23H31NO5/c1-15-14-20(16(2)28-15)22(17-6-4-3-5-7-17)29-19-10-8-18(9-11-19)23(27)24-13-12-21(25)26/h8-11,14,16-17,20,22H,3-7,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySLHIXOKPUZWJIW-UHFFFAOYSA-N
XLogP4.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic 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-[[4-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]-cyclohexylmethoxy]benzoyl]amino]propanoic acid
CID 59529385
3-[[4-[cyclohexyl-[2-(methoxymethyl)-5-(4-methylphenyl)furan-3-yl]methoxy]benzoyl]amino]propanoic acid
CID 59529371
3-[[4-[cyclohexyl-[2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-yl]methoxy]benzoyl]amino]propanoic acid
CID 59529394
3-[[4-[cyclohexyl-[5-(4-fluoro-2-methylphenyl)-2-methylfuran-3-yl]methoxy]benzoyl]amino]propanoic acid
CID 59529452
3-[[4-[(Z)-1-cyclohexyl-4-methoxy-2-methylidene-4-pyridin-3-ylbut-3-enoxy]benzoyl]amino]propanoic acid
CID 143799643
4-[[4-[cyclohexyl(hydroxy)methyl]benzoyl]amino]butanoic acid
CID 174507866
3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
CID 119223003
3-[[4-[2-(cyclopentylmethyl)butanoylamino]benzoyl]amino]propanoic acid
CID 119222956
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
3-[[4-[2-(4-cyclohexylphenyl)-3-(4-methylanilino)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67489002
3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid
CID 119222959
3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]benzoyl]amino]propanoic acid
CID 20742246

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid (CID 163965442) is 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid is CC1=CC(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)C(C)O1.
What is the InChIKey of 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid?
The InChIKey is SLHIXOKPUZWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-15-14-20(16(2)28-15)22(17-6-4-3-5-7-17)29-19-10-8-18(9-11-19)23(27)24-13-12-21(25)26/h8-11,14,16-17,20,22H,3-7,12-13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid?
3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid has a molecular weight of 401.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[cyclohexyl-(2,5-dimethyl-2,3-dihydrofuran-3-yl)methoxy]benzoyl]amino]propanoic acid is sourced from PubChem (CID 163965442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).