cycloheptyl 4-(2-hydroxyethylamino)benzoate

C16H23NO3 — CID 61304114

IUPACcycloheptyl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OC1CCCCCC1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H23NO3/c18-12-11-17-14-9-7-13(8-10-14)16(19)20-15-5-3-1-2-4-6-15/h7-10,15,17-18H,1-6,11-12H2
InChIKeyRCJRETBPKGJOGJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.97
Rot. Bonds5

About cycloheptyl 4-(2-hydroxyethylamino)benzoate

cycloheptyl 4-(2-hydroxyethylamino)benzoate (PubChem CID 61304114) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is cycloheptyl 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Namecycloheptyl 4-(2-hydroxyethylamino)benzoate
PubChem CID61304114
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namecycloheptyl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OC1CCCCCC1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H23NO3/c18-12-11-17-14-9-7-13(8-10-14)16(19)20-15-5-3-1-2-4-6-15/h7-10,15,17-18H,1-6,11-12H2
InChIKeyRCJRETBPKGJOGJ-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl 4-(2-hydroxyethylamino)benzoate
CID 55212550
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclopentyl 4-fluorobenzoate
CID 579482
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate
CID 7636802
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of cycloheptyl 4-(2-hydroxyethylamino)benzoate (CID 61304114) is cycloheptyl 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for cycloheptyl 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for cycloheptyl 4-(2-hydroxyethylamino)benzoate is O=C(OC1CCCCCC1)c1ccc(NCCO)cc1.
What is the InChIKey of cycloheptyl 4-(2-hydroxyethylamino)benzoate?
The InChIKey is RCJRETBPKGJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-12-11-17-14-9-7-13(8-10-14)16(19)20-15-5-3-1-2-4-6-15/h7-10,15,17-18H,1-6,11-12H2.
What are the key properties of cycloheptyl 4-(2-hydroxyethylamino)benzoate?
cycloheptyl 4-(2-hydroxyethylamino)benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 61304114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).