(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate

C17H25NO3 — CID 81396506

IUPAC(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OC1CCCC(CC)C1
InChIInChI=1S/C17H25NO3/c1-3-12-7-5-8-13(11-12)21-17(19)16-14(18)9-6-10-15(16)20-4-2/h6,9-10,12-13H,3-5,7-8,11,18H2,1-2H3
InChIKeyUPXGMWCMDWYCSB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.79
Rot. Bonds5

About (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate

(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate (PubChem CID 81396506) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate
PubChem CID81396506
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OC1CCCC(CC)C1
InChIInChI=1S/C17H25NO3/c1-3-12-7-5-8-13(11-12)21-17(19)16-14(18)9-6-10-15(16)20-4-2/h6,9-10,12-13H,3-5,7-8,11,18H2,1-2H3
InChIKeyUPXGMWCMDWYCSB-UHFFFAOYSA-N
XLogP3.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.79
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

cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
(4-ethylcyclohexyl) 3-amino-2-methylbenzoate
CID 64774862
(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
CID 81414121
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
CID 81395055
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate?
The IUPAC name of (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate (CID 81396506) is (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate.
What is the SMILES notation for (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate?
The canonical SMILES for (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OC1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate?
The InChIKey is UPXGMWCMDWYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-12-7-5-8-13(11-12)21-17(19)16-14(18)9-6-10-15(16)20-4-2/h6,9-10,12-13H,3-5,7-8,11,18H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate?
(3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate has a molecular weight of 291.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81396506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).