4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide

C16H25N3O2 — CID 120828485

IUPAC4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)14-9-7-13(8-10-14)15(20)18-11-12(3)17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeySUBPJBVJKPUXCP-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.51
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide (PubChem CID 120828485) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
PubChem CID120828485
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)14-9-7-13(8-10-14)15(20)18-11-12(3)17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeySUBPJBVJKPUXCP-UHFFFAOYSA-N
XLogP1.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120830963
6-[ethyl(propan-2-yl)amino]-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120831653
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide (CID 120828485) is 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)NCC(C)NC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide?
The InChIKey is SUBPJBVJKPUXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)14-9-7-13(8-10-14)15(20)18-11-12(3)17-4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 120828485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).