ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate

C17H24ClNO2 — CID 11243820

IUPACethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate
SMILESCCOC(=O)C(C1CCCCC1)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h9-13,16H,3-8H2,1-2H3
InChIKeyXZRMZRSNWKIHQN-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.29
Rot. Bonds5

About ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate

ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate (PubChem CID 11243820) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate
PubChem CID11243820
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Nameethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate
SMILESCCOC(=O)C(C1CCCCC1)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h9-13,16H,3-8H2,1-2H3
InChIKeyXZRMZRSNWKIHQN-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate?
The IUPAC name of ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate (CID 11243820) is ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate.
What is the SMILES notation for ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate?
The canonical SMILES for ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate is CCOC(=O)C(C1CCCCC1)N(C)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate?
The InChIKey is XZRMZRSNWKIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h9-13,16H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate?
ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate has a molecular weight of 309.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-N-methylanilino)-2-cyclohexylacetate is sourced from PubChem (CID 11243820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).