methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate

C16H23NO3 — CID 115935649

IUPACmethyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
SMILESCCC1CCCCC1Oc1c(N)cccc1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-3-11-7-4-5-10-14(11)20-15-12(16(18)19-2)8-6-9-13(15)17/h6,8-9,11,14H,3-5,7,10,17H2,1-2H3
InChIKeyDSCZSFWJCVMNET-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds4

About methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate

methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate (PubChem CID 115935649) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
PubChem CID115935649
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
SMILESCCC1CCCCC1Oc1c(N)cccc1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-3-11-7-4-5-10-14(11)20-15-12(16(18)19-2)8-6-9-13(15)17/h6,8-9,11,14H,3-5,7,10,17H2,1-2H3
InChIKeyDSCZSFWJCVMNET-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) 2-amino-6-methoxybenzoate
CID 81414121
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
CID 63446967
(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
3-amino-2-cyclopentyloxybenzamide
CID 112579558
methyl 3-amino-2-(2-ethoxyethoxy)benzoate
CID 112579638
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
methyl 3-amino-2-(2-butoxyethoxy)benzoate
CID 112579697
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate?
The IUPAC name of methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate (CID 115935649) is methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate?
The canonical SMILES for methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate is CCC1CCCCC1Oc1c(N)cccc1C(=O)OC.
What is the InChIKey of methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate?
The InChIKey is DSCZSFWJCVMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-11-7-4-5-10-14(11)20-15-12(16(18)19-2)8-6-9-13(15)17/h6,8-9,11,14H,3-5,7,10,17H2,1-2H3.
What are the key properties of methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate?
methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate 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 methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate is sourced from PubChem (CID 115935649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).