cyclohexyl 4-[(2-aminoacetyl)amino]benzoate

C15H20N2O3 — CID 110459441

IUPACcyclohexyl 4-[(2-aminoacetyl)amino]benzoate
SMILESNCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-10-14(18)17-12-8-6-11(7-9-12)15(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H,17,18)
InChIKeyXCNHLZJTJQBMGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.07
Rot. Bonds4

About cyclohexyl 4-[(2-aminoacetyl)amino]benzoate

cyclohexyl 4-[(2-aminoacetyl)amino]benzoate (PubChem CID 110459441) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cyclohexyl 4-[(2-aminoacetyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(2-aminoacetyl)amino]benzoate
PubChem CID110459441
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecyclohexyl 4-[(2-aminoacetyl)amino]benzoate
SMILESNCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-10-14(18)17-12-8-6-11(7-9-12)15(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H,17,18)
InChIKeyXCNHLZJTJQBMGG-UHFFFAOYSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
cyclohexyl 4-(pentanoylcarbamothioylamino)benzoate
CID 19187732

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(2-aminoacetyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(2-aminoacetyl)amino]benzoate (CID 110459441) is cyclohexyl 4-[(2-aminoacetyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(2-aminoacetyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(2-aminoacetyl)amino]benzoate is NCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 4-[(2-aminoacetyl)amino]benzoate?
The InChIKey is XCNHLZJTJQBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-10-14(18)17-12-8-6-11(7-9-12)15(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H,17,18).
What are the key properties of cyclohexyl 4-[(2-aminoacetyl)amino]benzoate?
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(2-aminoacetyl)amino]benzoate is sourced from PubChem (CID 110459441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).