cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid

C24H29F2NO5 — CID 143865582

IUPACcyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
SMILESCOCC(=O)O.Cc1ccc(N(C(=O)OCC2CCCCC2)c2cccc(F)c2)cc1F
InChIInChI=1S/C21H23F2NO2.C3H6O3/c1-15-10-11-19(13-20(15)23)24(18-9-5-8-17(22)12-18)21(25)26-14-16-6-3-2-4-7-16;1-6-2-3(4)5/h5,8-13,16H,2-4,6-7,14H2,1H3;2H2,1H3,(H,4,5)
InChIKeyKMCWWGMCSHRCCN-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.85
Rot. Bonds6

About cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid

cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid (PubChem CID 143865582) has the molecular formula C24H29F2NO5 and a molecular weight of 449.49 g/mol. Its IUPAC name is cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid.

Molecular Properties

Compound Namecyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
PubChem CID143865582
Molecular FormulaC24H29F2NO5
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Namecyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
SMILESCOCC(=O)O.Cc1ccc(N(C(=O)OCC2CCCCC2)c2cccc(F)c2)cc1F
InChIInChI=1S/C21H23F2NO2.C3H6O3/c1-15-10-11-19(13-20(15)23)24(18-9-5-8-17(22)12-18)21(25)26-14-16-6-3-2-4-7-16;1-6-2-3(4)5/h5,8-13,16H,2-4,6-7,14H2,1H3;2H2,1H3,(H,4,5)
InChIKeyKMCWWGMCSHRCCN-UHFFFAOYSA-N
XLogP5.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic 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-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
CID 143865610
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
CID 166763856
cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
CID 143865577
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
CID 143865656
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 166763737
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
2-[[4-[[(4-fluorophenyl)-(4-hydroxy-1-methylcyclohex-3-en-1-yl)carbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 163678160

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid?
The IUPAC name of cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid (CID 143865582) is cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid.
What is the SMILES notation for cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid?
The canonical SMILES for cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid is COCC(=O)O.Cc1ccc(N(C(=O)OCC2CCCCC2)c2cccc(F)c2)cc1F.
What is the InChIKey of cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid?
The InChIKey is KMCWWGMCSHRCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2.C3H6O3/c1-15-10-11-19(13-20(15)23)24(18-9-5-8-17(22)12-18)21(25)26-14-16-6-3-2-4-7-16;1-6-2-3(4)5/h5,8-13,16H,2-4,6-7,14H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid?
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid has a molecular weight of 449.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid is sourced from PubChem (CID 143865582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).