N-(4-methylbenzenecarboximidoyl)benzamide;propane

C18H22N2O — CID 142232134

IUPACN-(4-methylbenzenecarboximidoyl)benzamide;propane
SMILESCCC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O.C3H8/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-3-2/h2-10H,1H3,(H2,16,17,18);3H2,1-2H3
InChIKeyYVBZHKVCWAGOSH-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.17
Rot. Bonds2

About N-(4-methylbenzenecarboximidoyl)benzamide;propane

N-(4-methylbenzenecarboximidoyl)benzamide;propane (PubChem CID 142232134) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-methylbenzenecarboximidoyl)benzamide;propane.

Molecular Properties

Compound NameN-(4-methylbenzenecarboximidoyl)benzamide;propane
PubChem CID142232134
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-methylbenzenecarboximidoyl)benzamide;propane
SMILESCCC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O.C3H8/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-3-2/h2-10H,1H3,(H2,16,17,18);3H2,1-2H3
InChIKeyYVBZHKVCWAGOSH-UHFFFAOYSA-N
XLogP4.17
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylbenzenecarboximidoyl)benzamide;propane?
The IUPAC name of N-(4-methylbenzenecarboximidoyl)benzamide;propane (CID 142232134) is N-(4-methylbenzenecarboximidoyl)benzamide;propane.
What is the SMILES notation for N-(4-methylbenzenecarboximidoyl)benzamide;propane?
The canonical SMILES for N-(4-methylbenzenecarboximidoyl)benzamide;propane is CCC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylbenzenecarboximidoyl)benzamide;propane?
The InChIKey is YVBZHKVCWAGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C3H8/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-3-2/h2-10H,1H3,(H2,16,17,18);3H2,1-2H3.
What are the key properties of N-(4-methylbenzenecarboximidoyl)benzamide;propane?
N-(4-methylbenzenecarboximidoyl)benzamide;propane has a molecular weight of 282.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylbenzenecarboximidoyl)benzamide;propane is sourced from PubChem (CID 142232134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).