4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride

C17H28ClN3O2 — CID 120830958

IUPAC4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-12(18-5)10-19-15(21)13-6-8-14(9-7-13)16(22)20-11-17(2,3)4;/h6-9,12,18H,10-11H2,1-5H3,(H,19,21)(H,20,22);1H
InChIKeyRDBBAUWXBYSQKD-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.22
Rot. Bonds6

About 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride

4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 120830958) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
PubChem CID120830958
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-12(18-5)10-19-15(21)13-6-8-14(9-7-13)16(22)20-11-17(2,3)4;/h6-9,12,18H,10-11H2,1-5H3,(H,19,21)(H,20,22);1H
InChIKeyRDBBAUWXBYSQKD-UHFFFAOYSA-N
XLogP2.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120826642
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride (CID 120830958) is 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride is CNC(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is RDBBAUWXBYSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-12(18-5)10-19-15(21)13-6-8-14(9-7-13)16(22)20-11-17(2,3)4;/h6-9,12,18H,10-11H2,1-5H3,(H,19,21)(H,20,22);1H.
What are the key properties of 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride?
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 120830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).