N-morpholin-4-yl-4-propan-2-ylbenzamide

C14H20N2O2 — CID 4091516

IUPACN-morpholin-4-yl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)12-3-5-13(6-4-12)14(17)15-16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyGWHICIFEABQPCV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds3

About N-morpholin-4-yl-4-propan-2-ylbenzamide

N-morpholin-4-yl-4-propan-2-ylbenzamide (PubChem CID 4091516) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-morpholin-4-yl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-morpholin-4-yl-4-propan-2-ylbenzamide
PubChem CID4091516
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-morpholin-4-yl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)12-3-5-13(6-4-12)14(17)15-16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyGWHICIFEABQPCV-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-4-propan-2-ylbenzamide?
The IUPAC name of N-morpholin-4-yl-4-propan-2-ylbenzamide (CID 4091516) is N-morpholin-4-yl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-morpholin-4-yl-4-propan-2-ylbenzamide?
The canonical SMILES for N-morpholin-4-yl-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NN2CCOCC2)cc1.
What is the InChIKey of N-morpholin-4-yl-4-propan-2-ylbenzamide?
The InChIKey is GWHICIFEABQPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)12-3-5-13(6-4-12)14(17)15-16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-morpholin-4-yl-4-propan-2-ylbenzamide?
N-morpholin-4-yl-4-propan-2-ylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-4-propan-2-ylbenzamide is sourced from PubChem (CID 4091516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).