ethyl 3-amino-4-(cyclohexylamino)benzoate

C15H22N2O2 — CID 4068248

IUPACethyl 3-amino-4-(cyclohexylamino)benzoate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3
InChIKeyUJHBVMHOBZBWMX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.19
Rot. Bonds4

About ethyl 3-amino-4-(cyclohexylamino)benzoate

ethyl 3-amino-4-(cyclohexylamino)benzoate (PubChem CID 4068248) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3-amino-4-(cyclohexylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(cyclohexylamino)benzoate
PubChem CID4068248
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 3-amino-4-(cyclohexylamino)benzoate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3
InChIKeyUJHBVMHOBZBWMX-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(cyclohexylamino)benzoate?
The IUPAC name of ethyl 3-amino-4-(cyclohexylamino)benzoate (CID 4068248) is ethyl 3-amino-4-(cyclohexylamino)benzoate.
What is the SMILES notation for ethyl 3-amino-4-(cyclohexylamino)benzoate?
The canonical SMILES for ethyl 3-amino-4-(cyclohexylamino)benzoate is CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-(cyclohexylamino)benzoate?
The InChIKey is UJHBVMHOBZBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3.
What are the key properties of ethyl 3-amino-4-(cyclohexylamino)benzoate?
ethyl 3-amino-4-(cyclohexylamino)benzoate has a molecular weight of 262.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(cyclohexylamino)benzoate is sourced from PubChem (CID 4068248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).