3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide

C23H29N3O3 — CID 109053328

IUPAC3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-18-7-4-6-17(2)21(18)25-23(28)20-9-5-8-19(16-20)22(27)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKLPYZIAZMMRUTQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.87
Rot. Bonds7

About 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide

3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109053328) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109053328
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-18-7-4-6-17(2)21(18)25-23(28)20-9-5-8-19(16-20)22(27)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKLPYZIAZMMRUTQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
6-(2,6-diethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154157
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109053328) is 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is KLPYZIAZMMRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-18-7-4-6-17(2)21(18)25-23(28)20-9-5-8-19(16-20)22(27)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide?
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).