methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate

C17H25NO2 — CID 64756171

IUPACmethyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(C)cc2)CC(C)CCC1C
InChIInChI=1S/C17H25NO2/c1-12-6-9-15(10-7-12)18-17(16(19)20-4)11-13(2)5-8-14(17)3/h6-7,9-10,13-14,18H,5,8,11H2,1-4H3
InChIKeyRVMHRGPOZHAXEZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.77
Rot. Bonds3

About methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate

methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate (PubChem CID 64756171) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate
PubChem CID64756171
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(C)cc2)CC(C)CCC1C
InChIInChI=1S/C17H25NO2/c1-12-6-9-15(10-7-12)18-17(16(19)20-4)11-13(2)5-8-14(17)3/h6-7,9-10,13-14,18H,5,8,11H2,1-4H3
InChIKeyRVMHRGPOZHAXEZ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
methyl 4-(2-phenylethyl)-1-(N-propanoylanilino)cyclohexane-1-carboxylate
CID 101898612
[1-(4-Methylanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate
CID 16530422
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate
CID 2338273
methyl (2S)-3-phenyl-2-[4-(trifluoromethyl)anilino]propanoate
CID 162400793
isopropyl (S)-2-((4-fluorophenyl)amino)-2-phenylbutanoate
CID 171394199
methyl (R,E)-2-benzyl-4-phenyl-2-((2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)amino)but-3-enoate
CID 176526259
ethyl (2S)-2-anilino-3-phenylpropanoate
CID 11288666
Ethyl 3-phenyl-2-(phenylamino)propanoate
CID 21754678
methyl (2S)-2-anilino-3-phenylpropanoate
CID 53636184
Methyl 1-anilinocyclohexane-1-carboxylate
CID 54889634
Ethyl 2-cyclohexyl-2-(phenylamino)acetate
CID 54889636

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate (CID 64756171) is methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate is COC(=O)C1(Nc2ccc(C)cc2)CC(C)CCC1C.
What is the InChIKey of methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate?
The InChIKey is RVMHRGPOZHAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-6-9-15(10-7-12)18-17(16(19)20-4)11-13(2)5-8-14(17)3/h6-7,9-10,13-14,18H,5,8,11H2,1-4H3.
What are the key properties of methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate?
methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-1-(4-methylanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 64756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).