[2-(dimethylamino)morpholin-2-yl] benzoate

C13H18N2O3 — CID 175562545

IUPAC[2-(dimethylamino)morpholin-2-yl] benzoate
SMILESCN(C)C1(OC(=O)c2ccccc2)CNCCO1
InChIInChI=1S/C13H18N2O3/c1-15(2)13(10-14-8-9-17-13)18-12(16)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3
InChIKeyVONLCZICJJMHOV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds3

About [2-(dimethylamino)morpholin-2-yl] benzoate

[2-(dimethylamino)morpholin-2-yl] benzoate (PubChem CID 175562545) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(dimethylamino)morpholin-2-yl] benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)morpholin-2-yl] benzoate
PubChem CID175562545
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[2-(dimethylamino)morpholin-2-yl] benzoate
SMILESCN(C)C1(OC(=O)c2ccccc2)CNCCO1
InChIInChI=1S/C13H18N2O3/c1-15(2)13(10-14-8-9-17-13)18-12(16)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3
InChIKeyVONLCZICJJMHOV-UHFFFAOYSA-N
XLogP0.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)morpholin-2-yl] benzoate?
The IUPAC name of [2-(dimethylamino)morpholin-2-yl] benzoate (CID 175562545) is [2-(dimethylamino)morpholin-2-yl] benzoate.
What is the SMILES notation for [2-(dimethylamino)morpholin-2-yl] benzoate?
The canonical SMILES for [2-(dimethylamino)morpholin-2-yl] benzoate is CN(C)C1(OC(=O)c2ccccc2)CNCCO1.
What is the InChIKey of [2-(dimethylamino)morpholin-2-yl] benzoate?
The InChIKey is VONLCZICJJMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(2)13(10-14-8-9-17-13)18-12(16)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3.
What are the key properties of [2-(dimethylamino)morpholin-2-yl] benzoate?
[2-(dimethylamino)morpholin-2-yl] benzoate has a molecular weight of 250.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)morpholin-2-yl] benzoate is sourced from PubChem (CID 175562545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).