ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate

C16H24N2O2 — CID 115933967

IUPACethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(C)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)13-10-7-11-14(17)15(13)18(2)12-8-5-4-6-9-12/h7,10-12H,3-6,8-9,17H2,1-2H3
InChIKeyNMPZXBAZFWPQMD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds4

About ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate

ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate (PubChem CID 115933967) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
PubChem CID115933967
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(C)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)13-10-7-11-14(17)15(13)18(2)12-8-5-4-6-9-12/h7,10-12H,3-6,8-9,17H2,1-2H3
InChIKeyNMPZXBAZFWPQMD-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
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 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
CID 112579017
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate
CID 112578209
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
ethyl 3-amino-2-[methyl(oxan-3-ylmethyl)amino]benzoate
CID 115935039
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
ethyl 3-amino-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 113476165
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate?
The IUPAC name of ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate (CID 115933967) is ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate.
What is the SMILES notation for ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate?
The canonical SMILES for ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate is CCOC(=O)c1cccc(N)c1N(C)C1CCCCC1.
What is the InChIKey of ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate?
The InChIKey is NMPZXBAZFWPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-16(19)13-10-7-11-14(17)15(13)18(2)12-8-5-4-6-9-12/h7,10-12H,3-6,8-9,17H2,1-2H3.
What are the key properties of ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate?
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate has a molecular weight of 276.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate is sourced from PubChem (CID 115933967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).