ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate

C26H33F2N3O5 — CID 171569519

IUPACethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C(=O)Nc2ccc(OC)nc2OC(F)F)c2ccccc2C(C)C)CC1
InChIInChI=1S/C26H33F2N3O5/c1-5-35-24(32)17-10-12-18(13-11-17)31(21-9-7-6-8-19(21)16(2)3)26(33)29-20-14-15-22(34-4)30-23(20)36-25(27)28/h6-9,14-18,25H,5,10-13H2,1-4H3,(H,29,33)
InChIKeyKWLYANUXNZRHNE-UHFFFAOYSA-N
MW505.56 g/mol
LogP5.98
Rot. Bonds9

About ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate

ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate (PubChem CID 171569519) has the molecular formula C26H33F2N3O5 and a molecular weight of 505.56 g/mol. Its IUPAC name is ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
PubChem CID171569519
Molecular FormulaC26H33F2N3O5
Molecular Weight505.56 g/mol
Exact Mass505.24
IUPAC Nameethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C(=O)Nc2ccc(OC)nc2OC(F)F)c2ccccc2C(C)C)CC1
InChIInChI=1S/C26H33F2N3O5/c1-5-35-24(32)17-10-12-18(13-11-17)31(21-9-7-6-8-19(21)16(2)3)26(33)29-20-14-15-22(34-4)30-23(20)36-25(27)28/h6-9,14-18,25H,5,10-13H2,1-4H3,(H,29,33)
InChIKeyKWLYANUXNZRHNE-UHFFFAOYSA-N
XLogP5.98
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate 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-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(4-methylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457161
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
methyl 4-[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]anilino]cyclohexane-1-carboxylate
CID 171617863
1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167457101
2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide
CID 171569534
5-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]spiro[2.3]hexane-2-carboxylic acid
CID 167456964
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea
CID 167456766
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1-(2-propan-2-ylphenyl)urea
CID 167456586
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;ethane;1,2-oxazol-3-one
CID 167457035
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(4-methylsulfonylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457190
4-[N-[[2-(2,2-difluoroethoxy)-6-propan-2-yloxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylic acid
CID 167456528
2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
CID 167456647

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate (CID 171569519) is ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(N(C(=O)Nc2ccc(OC)nc2OC(F)F)c2ccccc2C(C)C)CC1.
What is the InChIKey of ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate?
The InChIKey is KWLYANUXNZRHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N3O5/c1-5-35-24(32)17-10-12-18(13-11-17)31(21-9-7-6-8-19(21)16(2)3)26(33)29-20-14-15-22(34-4)30-23(20)36-25(27)28/h6-9,14-18,25H,5,10-13H2,1-4H3,(H,29,33).
What are the key properties of ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate?
ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate has a molecular weight of 505.56 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate is sourced from PubChem (CID 171569519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).