N-(3-methylphenyl)morpholine-4-carboxamide

C12H16N2O2 — CID 792284

IUPACN-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H16N2O2/c1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3,(H,13,15)
InChIKeyDAOIJTZMMBZCQJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.86
Rot. Bonds1

About N-(3-methylphenyl)morpholine-4-carboxamide

N-(3-methylphenyl)morpholine-4-carboxamide (PubChem CID 792284) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)morpholine-4-carboxamide
PubChem CID792284
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H16N2O2/c1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3,(H,13,15)
InChIKeyDAOIJTZMMBZCQJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)morpholine-4-carboxamide (CID 792284) is N-(3-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)morpholine-4-carboxamide?
The InChIKey is DAOIJTZMMBZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3,(H,13,15).
What are the key properties of N-(3-methylphenyl)morpholine-4-carboxamide?
N-(3-methylphenyl)morpholine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).