ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate

C17H26N2O2 — CID 61307078

IUPACethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-19(14-8-6-5-7-9-14)16-11-10-13(18)12-15(16)17(20)21-4-2/h10-12,14H,3-9,18H2,1-2H3
InChIKeyQIWFJVGEYPFJQN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.60
Rot. Bonds5

About ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate

ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate (PubChem CID 61307078) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
PubChem CID61307078
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-19(14-8-6-5-7-9-14)16-11-10-13(18)12-15(16)17(20)21-4-2/h10-12,14H,3-9,18H2,1-2H3
InChIKeyQIWFJVGEYPFJQN-UHFFFAOYSA-N
XLogP3.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
CID 55256946
ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
cyclohexyl 5-amino-2-(dimethylamino)benzoate
CID 61308483
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate (CID 61307078) is ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate is CCOC(=O)c1cc(N)ccc1N(CC)C1CCCCC1.
What is the InChIKey of ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate?
The InChIKey is QIWFJVGEYPFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(14-8-6-5-7-9-14)16-11-10-13(18)12-15(16)17(20)21-4-2/h10-12,14H,3-9,18H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate?
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate has a molecular weight of 290.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate is sourced from PubChem (CID 61307078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).