2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide

C21H24N4O2 — CID 102423060

IUPAC2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide
SMILESCN1CCCN(C)C1=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-24-14-9-15-25(2)21(24)18(19(26)22-16-10-5-3-6-11-16)20(27)23-17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQWASKMLPOILWSQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.74
Rot. Bonds4

About 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide

2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide (PubChem CID 102423060) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide
PubChem CID102423060
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide
SMILESCN1CCCN(C)C1=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-24-14-9-15-25(2)21(24)18(19(26)22-16-10-5-3-6-11-16)20(27)23-17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQWASKMLPOILWSQ-UHFFFAOYSA-N
XLogP2.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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cobalt;N-phenylacetamide
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CID 88785803

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide?
The IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide (CID 102423060) is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide?
The canonical SMILES for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide is CN1CCCN(C)C1=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide?
The InChIKey is QWASKMLPOILWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-14-9-15-25(2)21(24)18(19(26)22-16-10-5-3-6-11-16)20(27)23-17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide?
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide has a molecular weight of 364.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-diphenylpropanediamide is sourced from PubChem (CID 102423060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).