4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide

C23H40N2O — CID 58300403

IUPAC4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
SMILESCCCN(CCC)CCCCCCc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C23H40N2O/c1-5-18-24(19-6-2)20-12-10-9-11-13-21-14-16-22(17-15-21)23(26)25(7-3)8-4/h14-17H,5-13,18-20H2,1-4H3
InChIKeyWFXWZQRZEZVWDZ-UHFFFAOYSA-N
MW360.59 g/mol
LogP5.39
Rot. Bonds14

About 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide

4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide (PubChem CID 58300403) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
PubChem CID58300403
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
SMILESCCCN(CCC)CCCCCCc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C23H40N2O/c1-5-18-24(19-6-2)20-12-10-9-11-13-21-14-16-22(17-15-21)23(26)25(7-3)8-4/h14-17H,5-13,18-20H2,1-4H3
InChIKeyWFXWZQRZEZVWDZ-UHFFFAOYSA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N,N-diethylbenzamide
CID 60675001
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-ethyl-N,N-dihexylbenzamide
CID 533235
4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
CID 142783933
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
N,N-bis(cyanomethyl)-4-propylbenzamide
CID 52832525
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217
2-[4-[4-[[2-(dibutylamino)ethyl-(4-pentylbenzoyl)amino]methyl]phenyl]phenyl]acetic acid
CID 11387548
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide (CID 58300403) is 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide is CCCN(CCC)CCCCCCc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide?
The InChIKey is WFXWZQRZEZVWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c1-5-18-24(19-6-2)20-12-10-9-11-13-21-14-16-22(17-15-21)23(26)25(7-3)8-4/h14-17H,5-13,18-20H2,1-4H3.
What are the key properties of 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide?
4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide has a molecular weight of 360.59 g/mol, XLogP of 5.39, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide is sourced from PubChem (CID 58300403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).