4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

C22H27N3O3 — CID 109045869

IUPAC4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-24(17-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)23-11-12-25-13-15-28-16-14-25/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyLWUMNWCLIYQXNG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.02
Rot. Bonds7

About 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109045869) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109045869
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-24(17-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)23-11-12-25-13-15-28-16-14-25/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyLWUMNWCLIYQXNG-UHFFFAOYSA-N
XLogP2.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109045869) is 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is LWUMNWCLIYQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(17-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)23-11-12-25-13-15-28-16-14-25/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).