1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride

C17H26ClN3O2 — CID 119576009

IUPAC1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(C)(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-20(3)16(22)13-7-5-6-12(10-13)15(21)19-17(2,11-18)14-8-9-14;/h5-7,10,14H,4,8-9,11,18H2,1-3H3,(H,19,21);1H
InChIKeyADCBXHUXGKZCMG-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.06
Rot. Bonds6

About 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride

1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119576009) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119576009
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(C)(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-20(3)16(22)13-7-5-6-12(10-13)15(21)19-17(2,11-18)14-8-9-14;/h5-7,10,14H,4,8-9,11,18H2,1-3H3,(H,19,21);1H
InChIKeyADCBXHUXGKZCMG-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride with MolForge

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Related Compounds

1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
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CID 119574828
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
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CID 81487028
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119574152
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 110002708
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride (CID 119576009) is 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride is CCN(C)C(=O)c1cccc(C(=O)NC(C)(CN)C2CC2)c1.Cl.
What is the InChIKey of 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is ADCBXHUXGKZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-4-20(3)16(22)13-7-5-6-12(10-13)15(21)19-17(2,11-18)14-8-9-14;/h5-7,10,14H,4,8-9,11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119576009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).