3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide

C20H24N2O2 — CID 109050312

IUPAC3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-13-21-19(23)17-11-8-12-18(14-17)20(24)22(4-2)15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,23)
InChIKeyFHEKWNHGLOCWJZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.49
Rot. Bonds7

About 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide

3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 109050312) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID109050312
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-13-21-19(23)17-11-8-12-18(14-17)20(24)22(4-2)15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,23)
InChIKeyFHEKWNHGLOCWJZ-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 91500084
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
CID 109054951
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413
1-N,3-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide;hydrochloride
CID 69321298

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide (CID 109050312) is 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is FHEKWNHGLOCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-13-21-19(23)17-11-8-12-18(14-17)20(24)22(4-2)15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,23).
What are the key properties of 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide?
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).