N-(1-phenylethyl)morpholine-4-carboxamide

C13H18N2O2 — CID 3136314

IUPACN-(1-phenylethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-11(12-5-3-2-4-6-12)14-13(16)15-7-9-17-10-8-15/h2-6,11H,7-10H2,1H3,(H,14,16)
InChIKeyLOCMOQCXCXZQGI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds2

About N-(1-phenylethyl)morpholine-4-carboxamide

N-(1-phenylethyl)morpholine-4-carboxamide (PubChem CID 3136314) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)morpholine-4-carboxamide
PubChem CID3136314
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(1-phenylethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-11(12-5-3-2-4-6-12)14-13(16)15-7-9-17-10-8-15/h2-6,11H,7-10H2,1H3,(H,14,16)
InChIKeyLOCMOQCXCXZQGI-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)morpholine-4-carboxamide (CID 3136314) is N-(1-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)morpholine-4-carboxamide is CC(NC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)morpholine-4-carboxamide?
The InChIKey is LOCMOQCXCXZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(12-5-3-2-4-6-12)14-13(16)15-7-9-17-10-8-15/h2-6,11H,7-10H2,1H3,(H,14,16).
What are the key properties of N-(1-phenylethyl)morpholine-4-carboxamide?
N-(1-phenylethyl)morpholine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3136314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).