2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid

C24H28FNO5 — CID 140562534

IUPAC2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
SMILESCc1cccc(NC(=O)OCC2CCC(COCC(=O)O)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FNO5/c1-16-3-2-4-21(23(16)19-9-11-20(25)12-10-19)26-24(29)31-14-18-7-5-17(6-8-18)13-30-15-22(27)28/h2-4,9-12,17-18H,5-8,13-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWHAOKJHXOIZDJV-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.26
Rot. Bonds8

About 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid

2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid (PubChem CID 140562534) has the molecular formula C24H28FNO5 and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
PubChem CID140562534
Molecular FormulaC24H28FNO5
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
SMILESCc1cccc(NC(=O)OCC2CCC(COCC(=O)O)CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FNO5/c1-16-3-2-4-21(23(16)19-9-11-20(25)12-10-19)26-24(29)31-14-18-7-5-17(6-8-18)13-30-15-22(27)28/h2-4,9-12,17-18H,5-8,13-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWHAOKJHXOIZDJV-UHFFFAOYSA-N
XLogP5.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic 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-[[4-[[2-(3-chloro-4-fluorophenyl)-3-fluorophenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
CID 140562491
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
CID 11394093
4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
CID 138680042
N-(2-methylphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062948
2-[[4-[[(4-fluorophenyl)-(4-hydroxy-1-methylcyclohex-3-en-1-yl)carbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 163678160
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
2-[[4-[[4-(3-fluorophenyl)-5-methyl-3-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 58433300
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
2-[[4-[[5-(2,3-difluorophenyl)-3-methyl-4-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 58433446
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
2-[[4-[[3-(3-chloro-2-fluorophenyl)-5-methyl-4-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid
CID 46234926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid (CID 140562534) is 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid is Cc1cccc(NC(=O)OCC2CCC(COCC(=O)O)CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid?
The InChIKey is WHAOKJHXOIZDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO5/c1-16-3-2-4-21(23(16)19-9-11-20(25)12-10-19)26-24(29)31-14-18-7-5-17(6-8-18)13-30-15-22(27)28/h2-4,9-12,17-18H,5-8,13-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid?
2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid has a molecular weight of 429.49 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid is sourced from PubChem (CID 140562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).