cyclohexylmethyl 2-amino-6-ethoxybenzoate

C16H23NO3 — CID 81414123

IUPACcyclohexylmethyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCC1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-19-14-10-6-9-13(17)15(14)16(18)20-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyQKEWUCYNVZXWHF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds5

About cyclohexylmethyl 2-amino-6-ethoxybenzoate

cyclohexylmethyl 2-amino-6-ethoxybenzoate (PubChem CID 81414123) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-6-ethoxybenzoate
PubChem CID81414123
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namecyclohexylmethyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCC1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-19-14-10-6-9-13(17)15(14)16(18)20-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyQKEWUCYNVZXWHF-UHFFFAOYSA-N
XLogP3.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate
CID 81396506
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-6-ethoxybenzoate?
The IUPAC name of cyclohexylmethyl 2-amino-6-ethoxybenzoate (CID 81414123) is cyclohexylmethyl 2-amino-6-ethoxybenzoate.
What is the SMILES notation for cyclohexylmethyl 2-amino-6-ethoxybenzoate?
The canonical SMILES for cyclohexylmethyl 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-6-ethoxybenzoate?
The InChIKey is QKEWUCYNVZXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-14-10-6-9-13(17)15(14)16(18)20-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3.
What are the key properties of cyclohexylmethyl 2-amino-6-ethoxybenzoate?
cyclohexylmethyl 2-amino-6-ethoxybenzoate has a molecular weight of 277.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81414123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).