N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide

C20H22N2O3 — CID 109052897

IUPACN-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-6-15(2)18(14)21-19(23)16-7-4-8-17(13-16)20(24)22-9-11-25-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyFOPTXQOTEKSQMQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide

N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide (PubChem CID 109052897) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
PubChem CID109052897
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-6-15(2)18(14)21-19(23)16-7-4-8-17(13-16)20(24)22-9-11-25-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyFOPTXQOTEKSQMQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052908
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109103807
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide (CID 109052897) is N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide is Cc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The InChIKey is FOPTXQOTEKSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-3-6-15(2)18(14)21-19(23)16-7-4-8-17(13-16)20(24)22-9-11-25-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109052897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).