1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide

C28H50N4O2 — CID 139956379

IUPAC1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1cccc(C(=O)NCCN(CCCC)CCCC)c1
InChIInChI=1S/C28H50N4O2/c1-5-9-18-31(19-10-6-2)22-16-29-27(33)25-14-13-15-26(24-25)28(34)30-17-23-32(20-11-7-3)21-12-8-4/h13-15,24H,5-12,16-23H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyITYPTDLIAIHAIA-UHFFFAOYSA-N
MW474.73 g/mol
LogP4.95
Rot. Bonds20

About 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide

1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 139956379) has the molecular formula C28H50N4O2 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID139956379
Molecular FormulaC28H50N4O2
Molecular Weight474.73 g/mol
Exact Mass474.39
IUPAC Name1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1cccc(C(=O)NCCN(CCCC)CCCC)c1
InChIInChI=1S/C28H50N4O2/c1-5-9-18-31(19-10-6-2)22-16-29-27(33)25-14-13-15-26(24-25)28(34)30-17-23-32(20-11-7-3)21-12-8-4/h13-15,24H,5-12,16-23H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyITYPTDLIAIHAIA-UHFFFAOYSA-N
XLogP4.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.73
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952505
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
N-[2-[butyl(octyl)amino]ethyl]-4-[4-[2-[butyl(octyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139955241
N-[2-[heptyl(pentyl)amino]ethyl]-4-[4-[2-[heptyl(pentyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139954407
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
1-N,2-N-bis[2-[di(nonyl)amino]ethyl]benzene-1,2-dicarboxamide
CID 139956764

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide (CID 139956379) is 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide is CCCCN(CCCC)CCNC(=O)c1cccc(C(=O)NCCN(CCCC)CCCC)c1.
What is the InChIKey of 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is ITYPTDLIAIHAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N4O2/c1-5-9-18-31(19-10-6-2)22-16-29-27(33)25-14-13-15-26(24-25)28(34)30-17-23-32(20-11-7-3)21-12-8-4/h13-15,24H,5-12,16-23H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 474.73 g/mol, XLogP of 4.95, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 139956379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).