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

C20H22N2O3 — CID 109052893

IUPACN-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-7-18(15(2)12-14)21-19(23)16-4-3-5-17(13-16)20(24)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,23)
InChIKeyBUGNWPLWRRBFTJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide (PubChem CID 109052893) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
PubChem CID109052893
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-7-18(15(2)12-14)21-19(23)16-4-3-5-17(13-16)20(24)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,23)
InChIKeyBUGNWPLWRRBFTJ-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-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052908
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 136519385
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide (CID 109052893) is N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The InChIKey is BUGNWPLWRRBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-7-18(15(2)12-14)21-19(23)16-4-3-5-17(13-16)20(24)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide?
N-(2,4-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-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109052893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).