ethyl 4-amino-3-cyclohexyloxybenzoate

C15H21NO3 — CID 82796678

IUPACethyl 4-amino-3-cyclohexyloxybenzoate
SMILESCCOC(=O)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-8-9-13(16)14(10-11)19-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3
InChIKeyMFSIIRLQQICSOQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.16
Rot. Bonds4

About ethyl 4-amino-3-cyclohexyloxybenzoate

ethyl 4-amino-3-cyclohexyloxybenzoate (PubChem CID 82796678) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-amino-3-cyclohexyloxybenzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-cyclohexyloxybenzoate
PubChem CID82796678
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-amino-3-cyclohexyloxybenzoate
SMILESCCOC(=O)c1ccc(N)c(OC2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-8-9-13(16)14(10-11)19-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3
InChIKeyMFSIIRLQQICSOQ-UHFFFAOYSA-N
XLogP3.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.16
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

methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
ethyl 3-amino-4-(4,4-dimethylcyclohexyl)oxybenzoate
CID 114341717
ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
CID 61305813
ethyl 3-amino-4-(cyclopentylamino)benzoate;ethyl 3-amino-4-(cyclopropylamino)benzoate
CID 160671023
ethyl 3-amino-4-(cycloheptylmethyl)benzoate
CID 158065347
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
ethyl 3-bromo-4-(cyclooctylamino)benzoate
CID 43684308
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
cyclohexyl 4-amino-3-(2-methylpropoxy)benzoate
CID 82057544
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-cyclohexyloxybenzoate?
The IUPAC name of ethyl 4-amino-3-cyclohexyloxybenzoate (CID 82796678) is ethyl 4-amino-3-cyclohexyloxybenzoate.
What is the SMILES notation for ethyl 4-amino-3-cyclohexyloxybenzoate?
The canonical SMILES for ethyl 4-amino-3-cyclohexyloxybenzoate is CCOC(=O)c1ccc(N)c(OC2CCCCC2)c1.
What is the InChIKey of ethyl 4-amino-3-cyclohexyloxybenzoate?
The InChIKey is MFSIIRLQQICSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)11-8-9-13(16)14(10-11)19-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3.
What are the key properties of ethyl 4-amino-3-cyclohexyloxybenzoate?
ethyl 4-amino-3-cyclohexyloxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-cyclohexyloxybenzoate is sourced from PubChem (CID 82796678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).