methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate

C15H21NO4 — CID 106955060

IUPACmethyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
SMILESCOC(=O)c1ccc(N)cc1OC1CCCC(OC)C1
InChIInChI=1S/C15H21NO4/c1-18-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)19-2/h6-8,11-12H,3-5,9,16H2,1-2H3
InChIKeyDWPSTRBVTYKEQH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.39
Rot. Bonds4

About methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate

methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate (PubChem CID 106955060) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
PubChem CID106955060
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
SMILESCOC(=O)c1ccc(N)cc1OC1CCCC(OC)C1
InChIInChI=1S/C15H21NO4/c1-18-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)19-2/h6-8,11-12H,3-5,9,16H2,1-2H3
InChIKeyDWPSTRBVTYKEQH-UHFFFAOYSA-N
XLogP2.39
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate?
The IUPAC name of methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate (CID 106955060) is methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate?
The canonical SMILES for methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate is COC(=O)c1ccc(N)cc1OC1CCCC(OC)C1.
What is the InChIKey of methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate?
The InChIKey is DWPSTRBVTYKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)19-2/h6-8,11-12H,3-5,9,16H2,1-2H3.
What are the key properties of methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate?
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate is sourced from PubChem (CID 106955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).