1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

C17H25N3O2 — CID 119616497

IUPAC1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-20(4-2)17(22)14-9-7-13(8-10-14)16(21)19-15(11-18)12-5-6-12/h7-10,12,15H,3-6,11,18H2,1-2H3,(H,19,21)
InChIKeyZJGLFNIGPGKQOJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.64
Rot. Bonds7

About 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 119616497) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID119616497
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-20(4-2)17(22)14-9-7-13(8-10-14)16(21)19-15(11-18)12-5-6-12/h7-10,12,15H,3-6,11,18H2,1-2H3,(H,19,21)
InChIKeyZJGLFNIGPGKQOJ-UHFFFAOYSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
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N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 119616497) is 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is ZJGLFNIGPGKQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-20(4-2)17(22)14-9-7-13(8-10-14)16(21)19-15(11-18)12-5-6-12/h7-10,12,15H,3-6,11,18H2,1-2H3,(H,19,21).
What are the key properties of 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 119616497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).