butyl 4-benzylmorpholine-2-carboxylate

C16H23NO3 — CID 90878437

IUPACbutyl 4-benzylmorpholine-2-carboxylate
SMILESCCCCOC(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H23NO3/c1-2-3-10-20-16(18)15-13-17(9-11-19-15)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3
InChIKeyLEXIHPWYDPXDQY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.23
Rot. Bonds6

About butyl 4-benzylmorpholine-2-carboxylate

butyl 4-benzylmorpholine-2-carboxylate (PubChem CID 90878437) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is butyl 4-benzylmorpholine-2-carboxylate.

Molecular Properties

Compound Namebutyl 4-benzylmorpholine-2-carboxylate
PubChem CID90878437
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namebutyl 4-benzylmorpholine-2-carboxylate
SMILESCCCCOC(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H23NO3/c1-2-3-10-20-16(18)15-13-17(9-11-19-15)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3
InChIKeyLEXIHPWYDPXDQY-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-benzylmorpholine-2-carboxylate?
The IUPAC name of butyl 4-benzylmorpholine-2-carboxylate (CID 90878437) is butyl 4-benzylmorpholine-2-carboxylate.
What is the SMILES notation for butyl 4-benzylmorpholine-2-carboxylate?
The canonical SMILES for butyl 4-benzylmorpholine-2-carboxylate is CCCCOC(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of butyl 4-benzylmorpholine-2-carboxylate?
The InChIKey is LEXIHPWYDPXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-10-20-16(18)15-13-17(9-11-19-15)12-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3.
What are the key properties of butyl 4-benzylmorpholine-2-carboxylate?
butyl 4-benzylmorpholine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-benzylmorpholine-2-carboxylate is sourced from PubChem (CID 90878437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).