2-(butoxycarbonylamino)ethyl benzoate

C14H19NO4 — CID 570837

IUPAC2-(butoxycarbonylamino)ethyl benzoate
SMILESCCCCOC(=O)NCCOC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-3-10-19-14(17)15-9-11-18-13(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,17)
InChIKeyHXRSMSYMPVZLMX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.37
Rot. Bonds7

About 2-(butoxycarbonylamino)ethyl benzoate

2-(butoxycarbonylamino)ethyl benzoate (PubChem CID 570837) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(butoxycarbonylamino)ethyl benzoate.

Molecular Properties

Compound Name2-(butoxycarbonylamino)ethyl benzoate
PubChem CID570837
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(butoxycarbonylamino)ethyl benzoate
SMILESCCCCOC(=O)NCCOC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-3-10-19-14(17)15-9-11-18-13(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,17)
InChIKeyHXRSMSYMPVZLMX-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(111C)butyl benzoate
CID 11994383
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
butyl benzoate;hexyl benzoate
CID 22163024
1,1'-biphenyl;butyl benzoate
CID 67401065
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
CID 172820816
CID 172820816
CID 162308343
CID 162308343
2-(methylamino)ethyl benzoate
CID 158644589

Frequently Asked Questions

What is the IUPAC name of 2-(butoxycarbonylamino)ethyl benzoate?
The IUPAC name of 2-(butoxycarbonylamino)ethyl benzoate (CID 570837) is 2-(butoxycarbonylamino)ethyl benzoate.
What is the SMILES notation for 2-(butoxycarbonylamino)ethyl benzoate?
The canonical SMILES for 2-(butoxycarbonylamino)ethyl benzoate is CCCCOC(=O)NCCOC(=O)c1ccccc1.
What is the InChIKey of 2-(butoxycarbonylamino)ethyl benzoate?
The InChIKey is HXRSMSYMPVZLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-3-10-19-14(17)15-9-11-18-13(16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,17).
What are the key properties of 2-(butoxycarbonylamino)ethyl benzoate?
2-(butoxycarbonylamino)ethyl benzoate has a molecular weight of 265.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxycarbonylamino)ethyl benzoate is sourced from PubChem (CID 570837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).