1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide

C22H38N4O2 — CID 2842708

IUPAC1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C22H38N4O2/c1-5-25(6-2)17-9-15-23-21(27)19-11-13-20(14-12-19)22(28)24-16-10-18-26(7-3)8-4/h11-14H,5-10,15-18H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXAOMXYJZAHWISV-UHFFFAOYSA-N
MW390.57 g/mol
LogP2.61
Rot. Bonds14

About 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide (PubChem CID 2842708) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
PubChem CID2842708
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C22H38N4O2/c1-5-25(6-2)17-9-15-23-21(27)19-11-13-20(14-12-19)22(28)24-16-10-18-26(7-3)8-4/h11-14H,5-10,15-18H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXAOMXYJZAHWISV-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 52.61
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

4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
CID 21151365
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide (CID 2842708) is 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide is CCN(CC)CCCNC(=O)c1ccc(C(=O)NCCCN(CC)CC)cc1.
What is the InChIKey of 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The InChIKey is XAOMXYJZAHWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-5-25(6-2)17-9-15-23-21(27)19-11-13-20(14-12-19)22(28)24-16-10-18-26(7-3)8-4/h11-14H,5-10,15-18H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide has a molecular weight of 390.57 g/mol, XLogP of 2.61, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 2842708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).