N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide

C36H58N4O2 — CID 139954581

IUPACN-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
SMILESCCCCN(CCCC)CCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCN(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C36H58N4O2/c1-5-9-25-39(26-10-6-2)29-13-23-37-35(41)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36(42)38-24-14-30-40(27-11-7-3)28-12-8-4/h15-22H,5-14,23-30H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyNETMXPMCXKFCTG-UHFFFAOYSA-N
MW578.89 g/mol
LogP7.40
Rot. Bonds23

About N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide

N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide (PubChem CID 139954581) has the molecular formula C36H58N4O2 and a molecular weight of 578.89 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
PubChem CID139954581
Molecular FormulaC36H58N4O2
Molecular Weight578.89 g/mol
Exact Mass578.46
IUPAC NameN-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
SMILESCCCCN(CCCC)CCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCN(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C36H58N4O2/c1-5-9-25-39(26-10-6-2)29-13-23-37-35(41)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36(42)38-24-14-30-40(27-11-7-3)28-12-8-4/h15-22H,5-14,23-30H2,1-4H3,(H,37,41)(H,38,42)
InChIKeyNETMXPMCXKFCTG-UHFFFAOYSA-N
XLogP7.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.89
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[butyl(octyl)amino]propyl]-4-[4-[3-[butyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955599
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
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,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[(dipentylamino)methyl]-4-[4-[(dipentylamino)methylcarbamoyl]phenyl]benzamide
CID 139955623
N-butyl-4-phenylbenzamide
CID 3637649
N-[(dihexylamino)methyl]-4-[4-[(dihexylamino)methylcarbamoyl]phenyl]benzamide
CID 139954652
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide (CID 139954581) is N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide is CCCCN(CCCC)CCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCN(CCCC)CCCC)cc2)cc1.
What is the InChIKey of N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide?
The InChIKey is NETMXPMCXKFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N4O2/c1-5-9-25-39(26-10-6-2)29-13-23-37-35(41)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36(42)38-24-14-30-40(27-11-7-3)28-12-8-4/h15-22H,5-14,23-30H2,1-4H3,(H,37,41)(H,38,42).
What are the key properties of N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide?
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide has a molecular weight of 578.89 g/mol, XLogP of 7.40, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 139954581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).