N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide

C20H22N2O — CID 102085112

IUPACN-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide
SMILESC=C(C)C(C)(C)/N=C(/NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(2)20(3,4)22-18(16-11-7-5-8-12-16)21-19(23)17-13-9-6-10-14-17/h5-14H,1H2,2-4H3,(H,21,22,23)
InChIKeyLHCLULVUMNNLQE-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.22
Rot. Bonds4

About N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide

N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide (PubChem CID 102085112) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide
PubChem CID102085112
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide
SMILESC=C(C)C(C)(C)/N=C(/NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(2)20(3,4)22-18(16-11-7-5-8-12-16)21-19(23)17-13-9-6-10-14-17/h5-14H,1H2,2-4H3,(H,21,22,23)
InChIKeyLHCLULVUMNNLQE-UHFFFAOYSA-N
XLogP4.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide?
The IUPAC name of N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide (CID 102085112) is N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide.
What is the SMILES notation for N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide?
The canonical SMILES for N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide is C=C(C)C(C)(C)/N=C(/NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide?
The InChIKey is LHCLULVUMNNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(2)20(3,4)22-18(16-11-7-5-8-12-16)21-19(23)17-13-9-6-10-14-17/h5-14H,1H2,2-4H3,(H,21,22,23).
What are the key properties of N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide?
N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(2,3-dimethylbut-3-en-2-yl)-C-phenylcarbonimidoyl]benzamide is sourced from PubChem (CID 102085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).