N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide

C15H22N2O2 — CID 3587354

IUPACN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-5-7-11(2)14(10)16-15(18)17-8-12(3)19-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,18)
InChIKeyIPPDSHNCGAYDJL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds1

About N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide

N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 3587354) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID3587354
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-5-7-11(2)14(10)16-15(18)17-8-12(3)19-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,18)
InChIKeyIPPDSHNCGAYDJL-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 3587354) is N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide is Cc1cccc(C)c1NC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is IPPDSHNCGAYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-5-7-11(2)14(10)16-15(18)17-8-12(3)19-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 3587354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).