N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide

C20H22N2 — CID 15496320

IUPACN'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide
SMILESC/C(=N\c1c(C)cccc1C1=CCCC1)Nc1ccccc1
InChIInChI=1S/C20H22N2/c1-15-9-8-14-19(17-10-6-7-11-17)20(15)22-16(2)21-18-12-4-3-5-13-18/h3-5,8-10,12-14H,6-7,11H2,1-2H3,(H,21,22)
InChIKeyWXHZOIGBPHXMHS-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.72
Rot. Bonds3

About N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide

N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide (PubChem CID 15496320) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide
PubChem CID15496320
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide
SMILESC/C(=N\c1c(C)cccc1C1=CCCC1)Nc1ccccc1
InChIInChI=1S/C20H22N2/c1-15-9-8-14-19(17-10-6-7-11-17)20(15)22-16(2)21-18-12-4-3-5-13-18/h3-5,8-10,12-14H,6-7,11H2,1-2H3,(H,21,22)
InChIKeyWXHZOIGBPHXMHS-UHFFFAOYSA-N
XLogP5.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide?
The IUPAC name of N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide (CID 15496320) is N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide.
What is the SMILES notation for N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide?
The canonical SMILES for N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide is C/C(=N\c1c(C)cccc1C1=CCCC1)Nc1ccccc1.
What is the InChIKey of N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide?
The InChIKey is WXHZOIGBPHXMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-9-8-14-19(17-10-6-7-11-17)20(15)22-16(2)21-18-12-4-3-5-13-18/h3-5,8-10,12-14H,6-7,11H2,1-2H3,(H,21,22).
What are the key properties of N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide?
N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide has a molecular weight of 290.41 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopenten-1-yl)-6-methylphenyl]-N-phenylethanimidamide is sourced from PubChem (CID 15496320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).