ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate

C16H23NO3 — CID 61305813

IUPACethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCCC(C)C2)c(N)c1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3
InChIKeyIBZKHFNLNXDNSC-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds4

About ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate

ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate (PubChem CID 61305813) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
PubChem CID61305813
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCCC(C)C2)c(N)c1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3
InChIKeyIBZKHFNLNXDNSC-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

ethyl 3-amino-4-(4,4-dimethylcyclohexyl)oxybenzoate
CID 114341717
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
ethyl 3-amino-4-(cyclopentylamino)benzoate;ethyl 3-amino-4-(cyclopropylamino)benzoate
CID 160671023
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
4-iodo-3-(3-methylcyclohexyl)oxybenzoic acid
CID 114103643

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate?
The IUPAC name of ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate (CID 61305813) is ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate.
What is the SMILES notation for ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate?
The canonical SMILES for ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate is CCOC(=O)c1ccc(OC2CCCC(C)C2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate?
The InChIKey is IBZKHFNLNXDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-19-16(18)12-7-8-15(14(17)10-12)20-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3.
What are the key properties of ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate?
ethyl 3-amino-4-(3-methylcyclohexyl)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 ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate is sourced from PubChem (CID 61305813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).