4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide

C22H39N3O — CID 141125970

IUPAC4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C22H39N3O/c1-6-15-25(16-7-2)17-9-8-14-23-21(26)20-12-10-19(11-13-20)18-24-22(3,4)5/h10-13,24H,6-9,14-18H2,1-5H3,(H,23,26)
InChIKeyYXFNYCJEBNBFIB-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.21
Rot. Bonds12

About 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide

4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide (PubChem CID 141125970) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
PubChem CID141125970
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Name4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C22H39N3O/c1-6-15-25(16-7-2)17-9-8-14-23-21(26)20-12-10-19(11-13-20)18-24-22(3,4)5/h10-13,24H,6-9,14-18H2,1-5H3,(H,23,26)
InChIKeyYXFNYCJEBNBFIB-UHFFFAOYSA-N
XLogP4.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide
CID 123149728
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-[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
1-N-[4-(dipropylamino)butyl]-4-N,4-N-bis(1H-imidazol-2-ylmethyl)benzene-1,4-dicarboxamide
CID 59649548
N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 67162986
N-[2-[heptyl(pentyl)amino]ethyl]-4-[4-[2-[heptyl(pentyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139954407
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide (CID 141125970) is 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide is CCCN(CCC)CCCCNC(=O)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide?
The InChIKey is YXFNYCJEBNBFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-6-15-25(16-7-2)17-9-8-14-23-21(26)20-12-10-19(11-13-20)18-24-22(3,4)5/h10-13,24H,6-9,14-18H2,1-5H3,(H,23,26).
What are the key properties of 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide?
4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide has a molecular weight of 361.57 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide is sourced from PubChem (CID 141125970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).