N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide

C15H22N2O4 — CID 2955868

IUPACN-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-10-8-17(9-11(2)21-10)15(18)16-12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyCWSMSFWBGVCOGE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.34
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 2955868) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID2955868
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-10-8-17(9-11(2)21-10)15(18)16-12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyCWSMSFWBGVCOGE-UHFFFAOYSA-N
XLogP2.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 2955868) is N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide is COc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is CWSMSFWBGVCOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-8-17(9-11(2)21-10)15(18)16-12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 2955868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).