ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate

C16H24N2O2 — CID 104822573

IUPACethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1ccc(C)nc1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)15(13-10-9-12(2)17-11-13)18-14-7-5-4-6-8-14/h9-11,14-15,18H,3-8H2,1-2H3
InChIKeyFLGDAPGSLHLEEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.92
Rot. Bonds5

About ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate

ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate (PubChem CID 104822573) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
PubChem CID104822573
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1ccc(C)nc1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)15(13-10-9-12(2)17-11-13)18-14-7-5-4-6-8-14/h9-11,14-15,18H,3-8H2,1-2H3
InChIKeyFLGDAPGSLHLEEX-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
2-(cyclohexylamino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937363
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
CID 60796035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate (CID 104822573) is ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate is CCOC(=O)C(NC1CCCCC1)c1ccc(C)nc1.
What is the InChIKey of ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is FLGDAPGSLHLEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-16(19)15(13-10-9-12(2)17-11-13)18-14-7-5-4-6-8-14/h9-11,14-15,18H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate?
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 276.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 104822573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).