N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide

C13H26N2O2 — CID 2162115

IUPACN-[(2S)-2-ethylhexyl]morpholine-4-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(4-2)11-14-13(16)15-7-9-17-10-8-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyKAPKTXGOUPZXBX-LBPRGKRZSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds6

About N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide

N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide (PubChem CID 2162115) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]morpholine-4-carboxamide
PubChem CID2162115
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(2S)-2-ethylhexyl]morpholine-4-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(4-2)11-14-13(16)15-7-9-17-10-8-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyKAPKTXGOUPZXBX-LBPRGKRZSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide (CID 2162115) is N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide is CCCC[C@H](CC)CNC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide?
The InChIKey is KAPKTXGOUPZXBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-12(4-2)11-14-13(16)15-7-9-17-10-8-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide?
N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]morpholine-4-carboxamide is sourced from PubChem (CID 2162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).