4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide

C23H31N3O2 — CID 120884506

IUPAC4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCN(CC)C(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-3-16-25(4-2)22(27)20-10-12-21(13-11-20)23(28)26(18-15-24)17-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18,24H2,1-2H3
InChIKeyGFBRNHAXUIRGLZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.20
Rot. Bonds10

About 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide

4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 120884506) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID120884506
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCN(CC)C(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-3-16-25(4-2)22(27)20-10-12-21(13-11-20)23(28)26(18-15-24)17-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18,24H2,1-2H3
InChIKeyGFBRNHAXUIRGLZ-UHFFFAOYSA-N
XLogP3.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide (CID 120884506) is 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide is CCCN(CC)C(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.
What is the InChIKey of 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is GFBRNHAXUIRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-16-25(4-2)22(27)20-10-12-21(13-11-20)23(28)26(18-15-24)17-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18,24H2,1-2H3.
What are the key properties of 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide?
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 120884506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).