4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide

C13H16N2O2 — CID 47155368

IUPAC4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C13H16N2O2/c1-2-15(11-7-8-11)13(17)10-5-3-9(4-6-10)12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16)
InChIKeyQKJIUOJEGVNWGX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.41
Rot. Bonds4

About 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide

4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide (PubChem CID 47155368) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
PubChem CID47155368
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C13H16N2O2/c1-2-15(11-7-8-11)13(17)10-5-3-9(4-6-10)12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16)
InChIKeyQKJIUOJEGVNWGX-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
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N-cyclohexyl-N-ethyl-4-hydrazinylbenzamide
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N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
CID 119065438
N-cyclopropyl-N-ethyl-6-hydrazinylpyridine-3-carboxamide
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3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide (CID 47155368) is 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(N)=O)cc1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide?
The InChIKey is QKJIUOJEGVNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-15(11-7-8-11)13(17)10-5-3-9(4-6-10)12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16).
What are the key properties of 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide?
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 47155368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).