(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate

C16H23NO3 — CID 81414121

IUPAC(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
SMILESCCC1CCCCC1OC(=O)c1c(N)cccc1OC
InChIInChI=1S/C16H23NO3/c1-3-11-7-4-5-9-13(11)20-16(18)15-12(17)8-6-10-14(15)19-2/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3
InChIKeyNJDSSBWNKNODJO-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds4

About (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate

(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate (PubChem CID 81414121) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
PubChem CID81414121
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
SMILESCCC1CCCCC1OC(=O)c1c(N)cccc1OC
InChIInChI=1S/C16H23NO3/c1-3-11-7-4-5-9-13(11)20-16(18)15-12(17)8-6-10-14(15)19-2/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3
InChIKeyNJDSSBWNKNODJO-UHFFFAOYSA-N
XLogP3.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.40
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

(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501
(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
CID 63446967
(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate
CID 115498887
(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate
CID 61308692
methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
CID 115935649
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate
CID 81396506
(2-ethylcyclohexyl) 2-amino-5-nitrobenzoate
CID 63540450

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate?
The IUPAC name of (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate (CID 81414121) is (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate?
The canonical SMILES for (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate is CCC1CCCCC1OC(=O)c1c(N)cccc1OC.
What is the InChIKey of (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate?
The InChIKey is NJDSSBWNKNODJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-11-7-4-5-9-13(11)20-16(18)15-12(17)8-6-10-14(15)19-2/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate?
(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate has a molecular weight of 277.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).