4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride

C17H28ClN3O2 — CID 119584228

IUPAC4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-12(10-18)20(5)16(22)14-8-6-13(7-9-14)15(21)19-11-17(2,3)4;/h6-9,12H,10-11,18H2,1-5H3,(H,19,21);1H
InChIKeyAXGUETOBBMJZPZ-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.30
Rot. Bonds5

About 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride

4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119584228) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
PubChem CID119584228
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-12(10-18)20(5)16(22)14-8-6-13(7-9-14)15(21)19-11-17(2,3)4;/h6-9,12H,10-11,18H2,1-5H3,(H,19,21);1H
InChIKeyAXGUETOBBMJZPZ-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride (CID 119584228) is 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride is CC(CN)N(C)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is AXGUETOBBMJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-12(10-18)20(5)16(22)14-8-6-13(7-9-14)15(21)19-11-17(2,3)4;/h6-9,12H,10-11,18H2,1-5H3,(H,19,21);1H.
What are the key properties of 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride?
4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119584228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).