4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide

C22H38N2O — CID 123149728

IUPAC4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C22H38N2O/c1-6-15-24(16-7-2)17-9-8-14-23-21(25)20-12-10-19(11-13-20)18-22(3,4)5/h10-13H,6-9,14-18H2,1-5H3,(H,23,25)
InChIKeyMNCTUZIIKGYWNQ-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.91
Rot. Bonds11

About 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide

4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide (PubChem CID 123149728) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide
PubChem CID123149728
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Name4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C22H38N2O/c1-6-15-24(16-7-2)17-9-8-14-23-21(25)20-12-10-19(11-13-20)18-22(3,4)5/h10-13H,6-9,14-18H2,1-5H3,(H,23,25)
InChIKeyMNCTUZIIKGYWNQ-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 141125970
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-[3-[butyl(octyl)amino]propyl]-4-[4-[3-[butyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955599
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[2-[heptyl(pentyl)amino]ethyl]-4-[4-[2-[heptyl(pentyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139954407
N-[2-[butyl(octyl)amino]ethyl]-4-[4-[2-[butyl(octyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139955241
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-pentyl-4-propylbenzamide
CID 70894308

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide (CID 123149728) is 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide is CCCN(CCC)CCCCNC(=O)c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide?
The InChIKey is MNCTUZIIKGYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O/c1-6-15-24(16-7-2)17-9-8-14-23-21(25)20-12-10-19(11-13-20)18-22(3,4)5/h10-13H,6-9,14-18H2,1-5H3,(H,23,25).
What are the key properties of 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide?
4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide has a molecular weight of 346.56 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide is sourced from PubChem (CID 123149728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).