N-benzylmorpholine-4-carboxamide

C12H16N2O2 — CID 760018

IUPACN-benzylmorpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-6-8-16-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)
InChIKeyZNBFGKICJUHTRT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.23
Rot. Bonds2

About N-benzylmorpholine-4-carboxamide

N-benzylmorpholine-4-carboxamide (PubChem CID 760018) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-benzylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-benzylmorpholine-4-carboxamide
PubChem CID760018
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-benzylmorpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-6-8-16-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)
InChIKeyZNBFGKICJUHTRT-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzylmorpholine-4-carboxamide?
The IUPAC name of N-benzylmorpholine-4-carboxamide (CID 760018) is N-benzylmorpholine-4-carboxamide.
What is the SMILES notation for N-benzylmorpholine-4-carboxamide?
The canonical SMILES for N-benzylmorpholine-4-carboxamide is O=C(NCc1ccccc1)N1CCOCC1.
What is the InChIKey of N-benzylmorpholine-4-carboxamide?
The InChIKey is ZNBFGKICJUHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-6-8-16-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15).
What are the key properties of N-benzylmorpholine-4-carboxamide?
N-benzylmorpholine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylmorpholine-4-carboxamide is sourced from PubChem (CID 760018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).